Vitas-M small molecule compound

2-amino-1-({(E)-[4-(dimethylamino)phenyl]methylidene}amino)-N-(3,4-dimethylphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide

Catalog ID
STK714589
SMILES O=C(c1c(N)n(c2c1nc1ccccc1n2)/N=C/c1ccc(cc1)N(C)C)Nc1ccc(c(c1)C)C

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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 C28H27N7O MW 477.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27N7O/c1-17-9-12-20(15-18(17)2)31-28(36)24-25-27(33-23-8-6-5-7-22(23)32-25)35(26(24)29)30-16-19-10-13-21(14-11-19)34(3)4/h5-16H,29H2,1-4H3,(H,31,36)/b30-16+
InChIKey
WVKNOGIGDZJXBL-OKCVXOCRSA-N
Synonyms
573930-21-9
(E)2amino1((4(dimethylamino)benzylidene)amino)N(34dimethylphenyl)1Hpyrrolo(23b)quinoxaline3carboxamide
2amino1(((E)(4(dimethylamino)phenyl)methylidene)amino)N(34dimethylphenyl)1Hpyrrolo(23b)quinoxaline3carboxamide
2amino1((E)(4(dimethylamino)phenyl)methylideneamino)N(34dimethylphenyl)pyrrolo(32b)quinoxaline3carboxamide
573930219
CC1=C(C=C(C=C1)NC(=O)C2=C(N(C3=NC4=CC=CC=C4N=C23)N=CC5=CC=C(C=C5)N(C)C)N)C
InChI=1SC28H27N7Oc11791220(1518(17)2)3128(36)242527(3323865722(23)3225)35(26(24)29)301619101321(141119)34(3)4h516H29H214H3(H3136)b3016+
MFCD04019494
O=C(c1c(N)n(c2c1nc1ccccc1n2)N=Cc1ccc(cc1)N(C)C)Nc1ccc(c(c1)C)C
ZINC000008818459
ZINC33915061

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Available files

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