Vitas-M small molecule compound
methyl 2-[(4-{[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl}butanoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Catalog ID
STK340380
SMILES COC(=O)c1c(NC(=O)CCCS(=O)(=O)c2nc(cc(n2)C(F)(F)F)c2ccc(c(c2)OC)OC)sc2c1CCC2
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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 C26H26F3N3O7S2 MW 613.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26F3N3O7S2/c1-37-17-10-9-14(12-18(17)38-2)16-13-20(26(27,28)29)31-25(30-16)41(35,36)11-5-8-21(33)32-23-22(24(34)39-3)15-6-4-7-19(15)40-23/h9-10,12-13H,4-8,11H2,1-3H3,(H,32,33)InChIKey
VLDDZUDVXUNJTR-UHFFFAOYSA-NSynonyms
685527-48-4685527484
COC1=C(C=C(C=C1)C2=CC(=NC(=N2)S(=O)(=O)CCCC(=O)NC3=C(C4=C(S3)CCC4)C(=O)OC)C(F)(F)F)OC
InChI=1SC26H26F3N3O7S2c1371710914(1218(17)382)161320(26(2728)29)3125(3016)41(3536)115821(33)322322(24(34)393)1564719(15)4023h9101213H4811H213H3(H3233)
methyl2((4((4(34dimethoxyphenyl)6(trifluoromethyl)pyrimidin2yl)sulfonyl)butanoyl)amino)56dihydro4Hcyclopenta(b)thiophene3carboxylate
METHYL2(4((4(34DIMETHOXYPHENYL)6(TRIFLUOROMETHYL)PYRIMIDIN2YL)SULFONYL)BUTANOYLAMINO)456TRIHYDROCYCLOPENTA(21B)THIOPHENE3CARBOXYLATE
methyl2(4(4(34dimethoxyphenyl)6(trifluoromethyl)pyrimidin2yl)sulfonylbutanoylamino)56dihydro4Hcyclopenta(b)thiophene3carboxylate
MFCD06164220
ZINC000098043172
ZINC98043172
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.