Vitas-M small molecule compound
ethyl 2-[2-(2-methylphenyl)-4,6-dioxo-3-(thiophen-2-yl)hexahydro-5H-pyrrolo[3,4-d][1,2]oxazol-5-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STL020363
SMILES CCOC(=O)c1c(sc2c1CCCC2)N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1C)c1cccs1
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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 C27H26N2O5S2 MW 522.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N2O5S2/c1-3-33-27(32)20-16-10-5-7-12-18(16)36-26(20)28-24(30)21-22(19-13-8-14-35-19)29(34-23(21)25(28)31)17-11-6-4-9-15(17)2/h4,6,8-9,11,13-14,21-23H,3,5,7,10,12H2,1-2H3InChIKey
QDOVJPPZPYWNSY-UHFFFAOYSA-NSynonyms
1005045-33-91005045339
CCOC(=O)C1=C(SC2=C1CCCC2)N3C(=O)C4C(N(OC4C3=O)C5=CC=CC=C5C)C6=CC=CS6
ethyl2(2(2methylphenyl)46dioxo3(thiophen2yl)hexahydro5Hpyrrolo(34d)(12)oxazol5yl)4567tetrahydro1benzothiophene3carboxylate
ethyl2(2(2methylphenyl)46dioxo3thiophen2yl3a6adihydro3Hpyrrolo(34d)(12)oxazol5yl)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC27H26N2O5S2c133327(32)201610571218(16)3626(20)2824(30)2122(19138143519)29(3423(21)25(28)31)171164915(17)2h46891113142123H3571012H212H3
MFCD02971217
ZINC000102860634
ZINC000238923897
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