Vitas-M small molecule compound

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

Catalog ID
STK714559
SMILES COc1cc(ccc1OC)/C=N/n1c2nc3ccccc3nc2c(c1N)C(=O)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 C28H26N6O3 MW 494.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H26N6O3/c1-16-9-11-19(13-17(16)2)31-28(35)24-25-27(33-21-8-6-5-7-20(21)32-25)34(26(24)29)30-15-18-10-12-22(36-3)23(14-18)37-4/h5-15H,29H2,1-4H3,(H,31,35)/b30-15+
InChIKey
AZGAUJNBCVJCSG-FJEPWZHXSA-N
Synonyms
843632-77-9
(E)2amino1((34dimethoxybenzylidene)amino)N(34dimethylphenyl)1Hpyrrolo(23b)quinoxaline3carboxamide
2amino1(((E)(34dimethoxyphenyl)methylidene)amino)N(34dimethylphenyl)1Hpyrrolo(23b)quinoxaline3carboxamide
2amino1((E)(34dimethoxyphenyl)methylideneamino)N(34dimethylphenyl)pyrrolo(32b)quinoxaline3carboxamide
843632779
CC1=C(C=C(C=C1)NC(=O)C2=C(N(C3=NC4=CC=CC=C4N=C23)N=CC5=CC(=C(C=C5)OC)OC)N)C
COc1cc(ccc1OC)C=Nn1c2nc3ccccc3nc2c(c1N)C(=O)Nc1ccc(c(c1)C)C
InChI=1SC28H26N6O3c11691119(1317(16)2)3128(35)242527(3321865720(21)3225)34(26(24)29)301518101222(363)23(1418)374h515H29H214H3(H3135)b3015+
MFCD04017013
ZINC000011851750
ZINC33761555

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Available files

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