Vitas-M small molecule compound

2-amino-1-{[(E)-(3-chlorophenyl)methylidene]amino}-N-heptyl-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide

Catalog ID
STK920802
SMILES CCCCCCCNC(=O)c1c(N)n(c2c1nc1ccccc1n2)/N=C/c1cccc(c1)Cl

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C25H27ClN6O MW 462.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27ClN6O/c1-2-3-4-5-8-14-28-25(33)21-22-24(31-20-13-7-6-12-19(20)30-22)32(23(21)27)29-16-17-10-9-11-18(26)15-17/h6-7,9-13,15-16H,2-5,8,14,27H2,1H3,(H,28,33)/b29-16+
InChIKey
WCAVFFZBDYKPJA-MUFRIFMGSA-N
Synonyms
841209-44-7
(E)2amino1((3chlorobenzylidene)amino)Nheptyl1Hpyrrolo(23b)quinoxaline3carboxamide
2amino1(((E)(3chlorophenyl)methylidene)amino)Nheptyl1Hpyrrolo(23b)quinoxaline3carboxamide
2AMINO1((E)(3CHLOROPHENYL)METHYLIDENEAMINO)NHEPTYLPYRROLO(32B)QUINOXALINE3CARBOXAMIDE
841209447
CCCCCCCNC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)N=CC4=CC(=CC=C4)Cl)N
CCCCCCCNC(=O)c1c(N)n(c2c1nc1ccccc1n2)N=Cc1cccc(c1)Cl
InChI=1SC25H27ClN6Oc123458142825(33)212224(312013761219(20)3022)32(23(21)27)2916171091118(26)1517h679131516H2581427H21H3(H2833)b2916+
MFCD04011799
ZINC000002389117
ZINC102983943

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Available files

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