Vitas-M small molecule compound
methyl 2-[3-(2,4-dichlorophenyl)-2-(2-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
STL019629
SMILES COC(=O)c1c(sc2c1CCCC2)N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1C)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 C28H24Cl2N2O5S MW 571.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H24Cl2N2O5S/c1-14-7-3-5-9-19(14)32-23(16-12-11-15(29)13-18(16)30)22-24(37-32)26(34)31(25(22)33)27-21(28(35)36-2)17-8-4-6-10-20(17)38-27/h3,5,7,9,11-13,22-24H,4,6,8,10H2,1-2H3InChIKey
JKBGJHNTTIDYDC-UHFFFAOYSA-NSynonyms
CC1=CC=CC=C1N2C(C3C(O2)C(=O)N(C3=O)C4=C(C5=C(S4)CCCC5)C(=O)OC)C6=C(C=C(C=C6)Cl)Cl
InChI=1SC28H24Cl2N2O5Sc114735919(14)3223(16121115(29)1318(16)30)2224(3732)26(34)31(25(22)33)2721(28(35)362)178461020(17)3827h357911132224H46810H212H3
methyl2(3(24dichlorophenyl)2(2methylphenyl)46dioxo3a6adihydro3Hpyrrolo(34d)(12)oxazol5yl)4567tetrahydro1benzothiophene3carboxylate
methyl2(3(24dichlorophenyl)2(2methylphenyl)46dioxohexahydro5Hpyrrolo(34d)(12)oxazol5yl)4567tetrahydro1benzothiophene3carboxylate
MFCD02971415
ZINC000001793381
ZINC000229969408
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