Vitas-M small molecule compound

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

Catalog ID
STL240075
SMILES CC(NC(=O)c1c(N)n(c2c1nc1ccccc1n2)/N=C/c1ccc(cc1)C)CCc1ccccc1

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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 C29H28N6O MW 476.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H28N6O/c1-19-12-15-22(16-13-19)18-31-35-27(30)25(26-28(35)34-24-11-7-6-10-23(24)33-26)29(36)32-20(2)14-17-21-8-4-3-5-9-21/h3-13,15-16,18,20H,14,17,30H2,1-2H3,(H,32,36)/b31-18+
InChIKey
YAXNFMWFJYONNM-FDAWAROLSA-N
Synonyms
578754-54-8
(E)2amino1((4methylbenzylidene)amino)N(4phenylbutan2yl)1Hpyrrolo(23b)quinoxaline3carboxamide
2amino1(((E)(4methylphenyl)methylidene)amino)N(4phenylbutan2yl)1Hpyrrolo(23b)quinoxaline3carboxamide
2amino1((E)(4methylphenyl)methylideneamino)N(4phenylbutan2yl)pyrrolo(32b)quinoxaline3carboxamide
578754548
CC(NC(=O)c1c(N)n(c2c1nc1ccccc1n2)N=Cc1ccc(cc1)C)CCc1ccccc1
CC1=CC=C(C=C1)C=NN2C(=C(C3=NC4=CC=CC=C4N=C32)C(=O)NC(C)CCC5=CC=CC=C5)N
InChI=1SC29H28N6Oc119121522(161319)18313527(30)25(2628(35)342411761023(24)3326)29(36)3220(2)1417218435921h31315161820H141730H212H3(H3236)b3118+
MFCD04025172
ZINC000002371596
ZINC000002371599

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Available files

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