Vitas-M small molecule compound

2-amino-1-{[(E)-(4-tert-butylphenyl)methylidene]amino}-N-(2,5-dimethylphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide

Catalog ID
STK714586
SMILES Cc1ccc(c(c1)NC(=O)c1c(N)n(c2c1nc1ccccc1n2)/N=C/c1ccc(cc1)C(C)(C)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 C30H30N6O MW 490.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H30N6O/c1-18-10-11-19(2)24(16-18)35-29(37)25-26-28(34-23-9-7-6-8-22(23)33-26)36(27(25)31)32-17-20-12-14-21(15-13-20)30(3,4)5/h6-17H,31H2,1-5H3,(H,35,37)/b32-17+
InChIKey
HRASUYPERAANDD-VTNSRFBWSA-N
Synonyms
843627-21-4
(E)2amino1((4(tertbutyl)benzylidene)amino)N(25dimethylphenyl)1Hpyrrolo(23b)quinoxaline3carboxamide
2amino1(((E)(4tertbutylphenyl)methylidene)amino)N(25dimethylphenyl)1Hpyrrolo(23b)quinoxaline3carboxamide
2amino1((E)(4tertbutylphenyl)methylideneamino)N(25dimethylphenyl)pyrrolo(32b)quinoxaline3carboxamide
843627214
CC1=CC(=C(C=C1)C)NC(=O)C2=C(N(C3=NC4=CC=CC=C4N=C23)N=CC5=CC=C(C=C5)C(C)(C)C)N
Cc1ccc(c(c1)NC(=O)c1c(N)n(c2c1nc1ccccc1n2)N=Cc1ccc(cc1)C(C)(C)C)C
InChI=1SC30H30N6Oc118101119(2)24(1618)3529(37)252628(3423976822(23)3326)36(27(25)31)321720121421(151320)30(34)5h617H31H215H3(H3537)b3217+
MFCD04016781
ZINC000009459495
ZINC33935235

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Available files

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