Vitas-M small molecule compound
2-amino-1-{[(E)-(2,3-dimethoxyphenyl)methylidene]amino}-N-(3,5-dimethylphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide
Catalog ID
STK990818
SMILES COc1c(cccc1OC)/C=N/n1c2nc3ccccc3nc2c(c1N)C(=O)Nc1cc(C)cc(c1)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/c1-16-12-17(2)14-19(13-16)31-28(35)23-24-27(33-21-10-6-5-9-20(21)32-24)34(26(23)29)30-15-18-8-7-11-22(36-3)25(18)37-4/h5-15H,29H2,1-4H3,(H,31,35)/b30-15+InChIKey
SEFYGGWXYBKOFK-FJEPWZHXSA-NSynonyms
578735-30-5(E)2amino1((23dimethoxybenzylidene)amino)N(35dimethylphenyl)1Hpyrrolo(23b)quinoxaline3carboxamide
2amino1(((E)(23dimethoxyphenyl)methylidene)amino)N(35dimethylphenyl)1Hpyrrolo(23b)quinoxaline3carboxamide
2AMINO1((E)(23DIMETHOXYPHENYL)METHYLIDENEAMINO)N(35DIMETHYLPHENYL)PYRROLO(32B)QUINOXALINE3CARBOXAMIDE
578735305
CC1=CC(=CC(=C1)NC(=O)C2=C(N(C3=NC4=CC=CC=C4N=C23)N=CC5=C(C(=CC=C5)OC)OC)N)C
COc1c(cccc1OC)C=Nn1c2nc3ccccc3nc2c(c1N)C(=O)Nc1cc(C)cc(c1)C
InChI=1SC28H26N6O3c1161217(2)1419(1316)3128(35)232427(33211065920(21)3224)34(26(23)29)301518871122(363)25(18)374h515H29H214H3(H3135)b3015+
MFCD04031713
ZINC000002394671
ZINC33364973
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