Vitas-M small molecule compound
ethyl 2-[3-(4-methylphenyl)-4,6-dioxo-2-phenylhexahydro-5H-pyrrolo[3,4-d][1,2]oxazol-5-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STL020305
SMILES CCOC(=O)c1c(sc2c1CCCC2)N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)c1ccc(cc1)C
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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 C29H28N2O5S MW 516.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H28N2O5S/c1-3-35-29(34)22-20-11-7-8-12-21(20)37-28(22)30-26(32)23-24(18-15-13-17(2)14-16-18)31(36-25(23)27(30)33)19-9-5-4-6-10-19/h4-6,9-10,13-16,23-25H,3,7-8,11-12H2,1-2H3InChIKey
XGGRGRIBRQXWRZ-UHFFFAOYSA-NSynonyms
1005266-67-01005266670
CCOC(=O)C1=C(SC2=C1CCCC2)N3C(=O)C4C(N(OC4C3=O)C5=CC=CC=C5)C6=CC=C(C=C6)C
ethyl2(3(4methylphenyl)46dioxo2phenyl3a6adihydro3Hpyrrolo(34d)(12)oxazol5yl)4567tetrahydro1benzothiophene3carboxylate
ethyl2(3(4methylphenyl)46dioxo2phenylhexahydro5Hpyrrolo(34d)(12)oxazol5yl)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC29H28N2O5Sc133529(34)222011781221(20)3728(22)3026(32)2324(18151317(2)141618)31(3625(23)27(30)33)1995461019h4691013162325H3781112H212H3
MFCD02970677
ZINC000102862151
ZINC000238950230
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