Vitas-M small molecule compound
ethyl 2-({[2-amino-1-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]quinoxalin-3-yl]carbonyl}amino)-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STL410923
SMILES CCOC(=O)c1c(NC(=O)c2c(N)n(c3c2nc2ccccc2n3)c2ccc(cc2)OC)sc2c1CCC(C2)c1ccccc1
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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 C35H31N5O4S MW 617.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H31N5O4S/c1-3-44-35(42)28-24-18-13-21(20-9-5-4-6-10-20)19-27(24)45-34(28)39-33(41)29-30-32(38-26-12-8-7-11-25(26)37-30)40(31(29)36)22-14-16-23(43-2)17-15-22/h4-12,14-17,21H,3,13,18-19,36H2,1-2H3,(H,39,41)InChIKey
GUTBYNKVUWAMPE-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC2=C1CCC(C2)C3=CC=CC=C3)NC(=O)C4=C(N(C5=NC6=CC=CC=C6N=C45)C7=CC=C(C=C7)OC)N
ethyl2(((2amino1(4methoxyphenyl)1Hpyrrolo(23b)quinoxalin3yl)carbonyl)amino)6phenyl4567tetrahydro1benzothiophene3carboxylate
ethyl2((2amino1(4methoxyphenyl)pyrrolo(32b)quinoxaline3carbonyl)amino)6phenyl4567tetrahydro1benzothiophene3carboxylate
ethyl2(2amino1(4methoxyphenyl)1Hpyrrolo(23b)quinoxaline3carboxamido)6phenyl4567tetrahydrobenzo(b)thiophene3carboxylate
InChI=1SC35H31N5O4Sc134435(42)2824181321(2095461020)1927(24)4534(28)3933(41)293032(382612871125(26)3730)40(31(29)36)22141623(432)171522h412141721H313181936H212H3(H3941)
MFCD03284141
ZINC000102621144
ZINC000102621147
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