Vitas-M small molecule compound

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

Catalog ID
STL226062
SMILES COc1cc(/C=N/n2c3nc4ccccc4nc3c(c2N)C(=O)NCc2ccccc2)cc(c1OC)OC

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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 C28H26N6O4 MW 510.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H26N6O4/c1-36-21-13-18(14-22(37-2)25(21)38-3)16-31-34-26(29)23(28(35)30-15-17-9-5-4-6-10-17)24-27(34)33-20-12-8-7-11-19(20)32-24/h4-14,16H,15,29H2,1-3H3,(H,30,35)/b31-16+
InChIKey
CYYBIRRVIVVLRP-WCMJOSRZSA-N
Synonyms
836626-95-0
(E)2aminoNbenzyl1((345trimethoxybenzylidene)amino)1Hpyrrolo(23b)quinoxaline3carboxamide
2aminoNbenzyl1(((E)(345trimethoxyphenyl)methylidene)amino)1Hpyrrolo(23b)quinoxaline3carboxamide
2aminoNbenzyl1((E)(345trimethoxyphenyl)methylideneamino)pyrrolo(32b)quinoxaline3carboxamide
836626950
COC1=CC(=CC(=C1OC)OC)C=NN2C(=C(C3=NC4=CC=CC=C4N=C32)C(=O)NCC5=CC=CC=C5)N
COc1cc(C=Nn2c3nc4ccccc4nc3c(c2N)C(=O)NCc2ccccc2)cc(c1OC)OC
InChI=1SC28H26N6O4c136211318(1422(372)25(21)383)16313426(29)23(28(35)30151795461017)2427(34)332012871119(20)3224h41416H1529H213H3(H3035)b3116+
MFCD03688400
ZINC000008836137
ZINC33567011

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Available files

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