Vitas-M small molecule compound
ethyl 2-[2-(2-methylphenyl)-3-(4-methylphenyl)-4,6-dioxohexahydro-5H-pyrrolo[3,4-d][1,2]oxazol-5-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STL020378
SMILES CCOC(=O)c1c(sc2c1CCCC2)N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1C)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 C30H30N2O5S MW 530.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H30N2O5S/c1-4-36-30(35)23-20-10-6-8-12-22(20)38-29(23)31-27(33)24-25(19-15-13-17(2)14-16-19)32(37-26(24)28(31)34)21-11-7-5-9-18(21)3/h5,7,9,11,13-16,24-26H,4,6,8,10,12H2,1-3H3InChIKey
NVSQTSPYGFBEPW-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC2=C1CCCC2)N3C(=O)C4C(N(OC4C3=O)C5=CC=CC=C5C)C6=CC=C(C=C6)C
ethyl2(2(2methylphenyl)3(4methylphenyl)46dioxo3a6adihydro3Hpyrrolo(34d)(12)oxazol5yl)4567tetrahydro1benzothiophene3carboxylate
ethyl2(2(2methylphenyl)3(4methylphenyl)46dioxohexahydro5Hpyrrolo(34d)(12)oxazol5yl)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC30H30N2O5Sc143630(35)232010681222(20)3829(23)3127(33)2425(19151317(2)141619)32(3726(24)28(31)34)211175918(21)3h5791113162426H4681012H213H3
MFCD02971268
ZINC000102912302
ZINC000245238427
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