Vitas-M small molecule compound
methyl 2-[2-(4-chlorophenyl)-3-(2,4-dimethoxyphenyl)-4,6-dioxohexahydro-5H-pyrrolo[3,4-d][1,2]oxazol-5-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STL019618
SMILES COc1ccc(c(c1)OC)C1N(OC2C1C(=O)N(C2=O)c1sc2c(c1C(=O)OC)CCCC2)c1ccc(cc1)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 C29H27ClN2O7S MW 583.06 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H27ClN2O7S/c1-36-17-12-13-18(20(14-17)37-2)24-23-25(39-32(24)16-10-8-15(30)9-11-16)27(34)31(26(23)33)28-22(29(35)38-3)19-6-4-5-7-21(19)40-28/h8-14,23-25H,4-7H2,1-3H3InChIKey
RFRBKAHNUSAJDB-UHFFFAOYSA-NSynonyms
COC1=CC(=C(C=C1)C2C3C(C(=O)N(C3=O)C4=C(C5=C(S4)CCCC5)C(=O)OC)ON2C6=CC=C(C=C6)Cl)OC
InChI=1SC29H27ClN2O7Sc13617121318(20(1417)372)242325(3932(24)1610815(30)91116)27(34)31(26(23)33)2822(29(35)383)19645721(19)4028h8142325H47H213H3
methyl2(2(4chlorophenyl)3(24dimethoxyphenyl)46dioxo3a6adihydro3Hpyrrolo(34d)(12)oxazol5yl)4567tetrahydro1benzothiophene3carboxylate
methyl2(2(4chlorophenyl)3(24dimethoxyphenyl)46dioxohexahydro5Hpyrrolo(34d)(12)oxazol5yl)4567tetrahydro1benzothiophene3carboxylate
MFCD02971090
ZINC000102861389
ZINC000229968719
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