Vitas-M small molecule compound
methyl 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
STL020379
SMILES COC(=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 C29H28N2O5S MW 516.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H28N2O5S/c1-16-12-14-18(15-13-16)24-23-25(36-31(24)20-10-6-4-8-17(20)2)27(33)30(26(23)32)28-22(29(34)35-3)19-9-5-7-11-21(19)37-28/h4,6,8,10,12-15,23-25H,5,7,9,11H2,1-3H3InChIKey
GXCHQBXNZCNSIZ-UHFFFAOYSA-NSynonyms
1005093-66-21005093662
CC1=CC=C(C=C1)C2C3C(C(=O)N(C3=O)C4=C(C5=C(S4)CCCC5)C(=O)OC)ON2C6=CC=CC=C6C
InChI=1SC29H28N2O5Sc116121418(151316)242325(3631(24)201064817(20)2)27(33)30(26(23)32)2822(29(34)353)199571121(19)3728h4681012152325H57911H213H3
methyl2(2(2methylphenyl)3(4methylphenyl)46dioxo3a6adihydro3Hpyrrolo(34d)(12)oxazol5yl)4567tetrahydro1benzothiophene3carboxylate
methyl2(2(2methylphenyl)3(4methylphenyl)46dioxohexahydro5Hpyrrolo(34d)(12)oxazol5yl)4567tetrahydro1benzothiophene3carboxylate
MFCD02971269
ZINC000102863256
ZINC000238899640
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