Vitas-M small molecule compound
ethyl 4,5-dimethyl-2-[2-(2-methylphenyl)-3-(4-methylphenyl)-4,6-dioxohexahydro-5H-pyrrolo[3,4-d][1,2]oxazol-5-yl]thiophene-3-carboxylate
Catalog ID
STL020380
SMILES CCOC(=O)c1c(sc(c1C)C)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 C28H28N2O5S MW 504.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28N2O5S/c1-6-34-28(33)21-17(4)18(5)36-27(21)29-25(31)22-23(19-13-11-15(2)12-14-19)30(35-24(22)26(29)32)20-10-8-7-9-16(20)3/h7-14,22-24H,6H2,1-5H3InChIKey
XCFNHJLMJLEOPY-UHFFFAOYSA-NSynonyms
1005074-01-01005074010
CCOC(=O)C1=C(SC(=C1C)C)N2C(=O)C3C(N(OC3C2=O)C4=CC=CC=C4C)C5=CC=C(C=C5)C
ETHYL2(46DIOXO2(OTOLYL)3(PTOLYL)TETRAHYDRO2HPYRROLO(34D)ISOXAZOL5(3H)YL)45DIMETHYLTHIOPHENE3CARBOXYLATE
ETHYL45DIMETHYL2(2(2METHYLPHENYL)3(4METHYLPHENYL)46DIOXO3A6ADIHYDRO3HPYRROLO(34D)(12)OXAZOL5YL)THIOPHENE3CARBOXYLATE
ethyl45dimethyl2(2(2methylphenyl)3(4methylphenyl)46dioxohexahydro5Hpyrrolo(34d)(12)oxazol5yl)thiophene3carboxylate
InChI=1SC28H28N2O5Sc163428(33)2117(4)18(5)3627(21)2925(31)2223(19131115(2)121419)30(3524(22)26(29)32)201087916(20)3h7142224H6H215H3
MFCD02971271
ZINC000102863276
ZINC000238950207
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