K-Ras-IN-4

cas: 3044773-77-2 — see every product listed under this CAS number, including other names

K-Ras-IN-4 (CAS 3044773-77-2) is a chemical reagent available from Chemat. Available pack sizes: Get quote. Offered by: MedChemExpress.

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cas3044773-77-2
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Structural formula: {0} (CAS {1})

2-amino-4-[(8S)-12,14-difluoro-17-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-6,10-dioxa-2,16,18-triazatetracyclo[9.7.1.02,8.015,19]nonadeca-1(18),11,13,15(19),16-pentaen-13-yl]-7-fluoro-1-benzothiophene-3-carbonitrile (CAS 3044773-77-2) is a chemical compound with the molecular formula C31H28F4N6O3S and a molecular weight of 640.7 g/mol. IUPAC name: 2-amino-4-[(8S)-12,14-difluoro-17-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-6,10-dioxa-2,16,18-triazatetracyclo[9.7.1.02,8.015,19]nonadeca-1(18),11,13,15(19),16-pentaen-13-yl]-7-fluoro-1-benzothiophene-3-carbonitrile. InChIKey: USYJEDIYXXIGFX-YXERLDLWSA-N.

Identity
Molecular formulaC31H28F4N6O3S
Molecular weight640.7 g/mol
IUPAC name2-amino-4-[(8S)-12,14-difluoro-17-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-6,10-dioxa-2,16,18-triazatetracyclo[9.7.1.02,8.015,19]nonadeca-1(18),11,13,15(19),16-pentaen-13-yl]-7-fluoro-1-benzothiophene-3-carbonitrile
InChIKeyUSYJEDIYXXIGFX-YXERLDLWSA-N
SMILESC1C[C@]2(C[C@H](CN2C1)F)COC3=NC4=C5C(=C(C(=C4F)C6=C7C(=C(SC7=C(C=C6)F)N)C#N)F)OC[C@@H]8COCCCN8C5=N3

Computed by PubChem (NCBI)

Synonyms: K-Ras-IN-4, orb2665172

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