Vitas-M small molecule compound

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

Catalog ID
STK714541
SMILES CC(NC(=O)c1c(N)n(c2c1nc1ccccc1n2)/N=C/c1ccccc1C)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/c1-19-10-6-7-13-22(19)18-31-35-27(30)25(26-28(35)34-24-15-9-8-14-23(24)33-26)29(36)32-20(2)16-17-21-11-4-3-5-12-21/h3-15,18,20H,16-17,30H2,1-2H3,(H,32,36)/b31-18+
InChIKey
SYGBSXFHVPZGNR-FDAWAROLSA-N
Synonyms
573938-55-3
(E)2amino1((2methylbenzylidene)amino)N(4phenylbutan2yl)1Hpyrrolo(23b)quinoxaline3carboxamide
2amino1(((E)(2methylphenyl)methylidene)amino)N(4phenylbutan2yl)1Hpyrrolo(23b)quinoxaline3carboxamide
2amino1((E)(2methylphenyl)methylideneamino)N(4phenylbutan2yl)pyrrolo(32b)quinoxaline3carboxamide
573938553
CC(NC(=O)c1c(N)n(c2c1nc1ccccc1n2)N=Cc1ccccc1C)CCc1ccccc1
CC1=CC=CC=C1C=NN2C(=C(C3=NC4=CC=CC=C4N=C32)C(=O)NC(C)CCC5=CC=CC=C5)N
InChI=1SC29H28N6Oc11910671322(19)18313527(30)25(2628(35)342415981423(24)3326)29(36)3220(2)161721114351221h3151820H161730H212H3(H3236)b3118+
MFCD04020330
ZINC000002207905
ZINC000002207908

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Available files

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