Vitas-M small molecule compound
ethyl 2-[2-(4-chlorophenyl)-3-(2,4-dichlorophenyl)-4,6-dioxohexahydro-5H-pyrrolo[3,4-d][1,2]oxazol-5-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STL019621
SMILES CCOC(=O)c1c(sc2c1CCCC2)N1C(=O)C2C(C1=O)C(N(O2)c1ccc(cc1)Cl)c1ccc(cc1Cl)Cl
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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 C28H23Cl3N2O5S MW 605.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H23Cl3N2O5S/c1-2-37-28(36)21-18-5-3-4-6-20(18)39-27(21)32-25(34)22-23(17-12-9-15(30)13-19(17)31)33(38-24(22)26(32)35)16-10-7-14(29)8-11-16/h7-13,22-24H,2-6H2,1H3InChIKey
IWFOOAMFMMDWIE-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC2=C1CCCC2)N3C(=O)C4C(N(OC4C3=O)C5=CC=C(C=C5)Cl)C6=C(C=C(C=C6)Cl)Cl
ethyl2(2(4chlorophenyl)3(24dichlorophenyl)46dioxo3a6adihydro3Hpyrrolo(34d)(12)oxazol5yl)4567tetrahydro1benzothiophene3carboxylate
ethyl2(2(4chlorophenyl)3(24dichlorophenyl)46dioxohexahydro5Hpyrrolo(34d)(12)oxazol5yl)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC28H23Cl3N2O5Sc123728(36)2118534620(18)3927(21)3225(34)2223(1712915(30)1319(17)31)33(3824(22)26(32)35)1610714(29)81116h7132224H26H21H3
MFCD02971095
ZINC000102860583
ZINC000238900496
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