Vitas-M small molecule compound
methyl 2-{[(2-amino-1-benzyl-1H-pyrrolo[2,3-b]quinoxalin-3-yl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK540212
SMILES COC(=O)c1c(sc2c1CCCC2)NC(=O)c1c(N)n(c2c1nc1ccccc1n2)Cc1ccccc1
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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 C28H25N5O3S MW 511.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25N5O3S/c1-36-28(35)21-17-11-5-8-14-20(17)37-27(21)32-26(34)22-23-25(31-19-13-7-6-12-18(19)30-23)33(24(22)29)15-16-9-3-2-4-10-16/h2-4,6-7,9-10,12-13H,5,8,11,14-15,29H2,1H3,(H,32,34)InChIKey
QCTNNWUBFVKLQP-UHFFFAOYSA-NSynonyms
371127-86-5371127865
COC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=C(N(C4=NC5=CC=CC=C5N=C34)CC6=CC=CC=C6)N
InChI=1SC28H25N5O3Sc13628(35)211711581420(17)3727(21)3226(34)222325(311913761218(19)3023)33(24(22)29)151693241016h24679101213H5811141529H21H3(H3234)
methyl2(((2amino1benzyl1Hpyrrolo(23b)quinoxalin3yl)carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl2((2amino1benzylpyrrolo(32b)quinoxaline3carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl2(2amino1benzyl1Hpyrrolo(23b)quinoxaline3carboxamido)4567tetrahydrobenzo(b)thiophene3carboxylate
MFCD03008133
ZINC000002314141
ZINC02314141
ZINC2314141
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