Vitas-M small molecule compound
methyl 2-({[2-amino-1-(2-phenylethyl)-1H-pyrrolo[2,3-b]quinoxalin-3-yl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK541002
SMILES COC(=O)c1c(sc2c1CCCC2)NC(=O)c1c(N)n(c2c1nc1ccccc1n2)CCc1ccccc1
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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 C29H27N5O3S MW 525.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H27N5O3S/c1-37-29(36)22-18-11-5-8-14-21(18)38-28(22)33-27(35)23-24-26(32-20-13-7-6-12-19(20)31-24)34(25(23)30)16-15-17-9-3-2-4-10-17/h2-4,6-7,9-10,12-13H,5,8,11,14-16,30H2,1H3,(H,33,35)InChIKey
IQFCPSNQLLPRBK-UHFFFAOYSA-NSynonyms
371211-20-0371211200
COC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=C(N(C4=NC5=CC=CC=C5N=C34)CCC6=CC=CC=C6)N
InChI=1SC29H27N5O3Sc13729(36)221811581421(18)3828(22)3327(35)232426(322013761219(20)3124)34(25(23)30)16151793241017h24679101213H5811141630H21H3(H3335)
methyl2(((2amino1(2phenylethyl)1Hpyrrolo(23b)quinoxalin3yl)carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl2((2amino1(2phenylethyl)pyrrolo(32b)quinoxaline3carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl2(2amino1phenethyl1Hpyrrolo(23b)quinoxaline3carboxamido)4567tetrahydrobenzo(b)thiophene3carboxylate
MFCD03009910
ZINC000002315651
ZINC02315651
ZINC2315651
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