Vitas-M small molecule compound
ethyl 2-({[2-amino-1-(3-methoxyphenyl)-1H-pyrrolo[2,3-b]quinoxalin-3-yl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK538072
SMILES CCOC(=O)c1c(sc2c1CCCC2)NC(=O)c1c(N)n(c2c1nc1ccccc1n2)c1cccc(c1)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 C29H27N5O4S MW 541.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H27N5O4S/c1-3-38-29(36)22-18-11-4-7-14-21(18)39-28(22)33-27(35)23-24-26(32-20-13-6-5-12-19(20)31-24)34(25(23)30)16-9-8-10-17(15-16)37-2/h5-6,8-10,12-13,15H,3-4,7,11,14,30H2,1-2H3,(H,33,35)InChIKey
KHTOUHBDVHVCSE-UHFFFAOYSA-NSynonyms
383895-62-3383895623
CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=C(N(C4=NC5=CC=CC=C5N=C34)C6=CC(=CC=C6)OC)N
ethyl2(((2amino1(3methoxyphenyl)1Hpyrrolo(23b)quinoxalin3yl)carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl2((2amino1(3methoxyphenyl)pyrrolo(32b)quinoxaline3carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl2(2amino1(3methoxyphenyl)1Hpyrrolo(23b)quinoxaline3carboxamido)4567tetrahydrobenzo(b)thiophene3carboxylate
InChI=1SC29H27N5O4Sc133829(36)221811471421(18)3928(22)3327(35)232426(322013651219(20)3124)34(25(23)30)16981017(1516)372h56810121315H347111430H212H3(H3335)
MFCD03000738
ZINC000002312237
ZINC2312237
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