Vitas-M small molecule compound

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

Catalog ID
STK714452
SMILES COc1ccc(cc1)CNC(=O)c1c(N)n(c2c1nc1ccccc1n2)/N=C/c1cccc(c1)[N+](=O)[O-]

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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 C26H21N7O4 MW 495.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H21N7O4/c1-37-19-11-9-16(10-12-19)14-28-26(34)22-23-25(31-21-8-3-2-7-20(21)30-23)32(24(22)27)29-15-17-5-4-6-18(13-17)33(35)36/h2-13,15H,14,27H2,1H3,(H,28,34)/b29-15+
InChIKey
XIBFWLKTOLQUCD-WKULSOCRSA-N
Synonyms
836652-35-8
(E)2aminoN(4methoxybenzyl)1((3nitrobenzylidene)amino)1Hpyrrolo(23b)quinoxaline3carboxamide
2AMINON((4METHOXYPHENYL)METHYL)1((E)(3NITROPHENYL)METHYLIDENEAMINO)PYRROLO(32B)QUINOXALINE3CARBOXAMIDE
2aminoN(4methoxybenzyl)1(((E)(3nitrophenyl)methylidene)amino)1Hpyrrolo(23b)quinoxaline3carboxamide
836652358
COC1=CC=C(C=C1)CNC(=O)C2=C(N(C3=NC4=CC=CC=C4N=C23)N=CC5=CC(=CC=C5)(N+)(=O)(O))N
COc1ccc(cc1)CNC(=O)c1c(N)n(c2c1nc1ccccc1n2)N=Cc1cccc(c1)(N+)(=O)(O)
InChI=1SC26H21N7O4c1371911916(101219)142826(34)222325(3121832720(21)3023)32(24(22)27)29151754618(1317)33(35)36h21315H1427H21H3(H2834)b2915+
MFCD03692510
ZINC000002254144
ZINC33351687

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Available files

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