Vitas-M small molecule compound
methyl 2-[(4-{[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl}butanoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK340381
SMILES COc1cc(ccc1OC)c1cc(nc(n1)S(=O)(=O)CCCC(=O)Nc1sc2c(c1C(=O)OC)CCCC2)C(F)(F)F
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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 C27H28F3N3O7S2 MW 627.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28F3N3O7S2/c1-38-18-11-10-15(13-19(18)39-2)17-14-21(27(28,29)30)32-26(31-17)42(36,37)12-6-9-22(34)33-24-23(25(35)40-3)16-7-4-5-8-20(16)41-24/h10-11,13-14H,4-9,12H2,1-3H3,(H,33,34)InChIKey
UXXLDBNXCZASMU-UHFFFAOYSA-NSynonyms
685836-64-0685836640
COC1=C(C=C(C=C1)C2=CC(=NC(=N2)S(=O)(=O)CCCC(=O)NC3=C(C4=C(S3)CCCC4)C(=O)OC)C(F)(F)F)OC
InChI=1SC27H28F3N3O7S2c13818111015(1319(18)392)171421(27(2829)30)3226(3117)42(3637)126922(34)332423(25(35)403)16745820(16)4124h10111314H4912H213H3(H3334)
methyl2((4((4(34dimethoxyphenyl)6(trifluoromethyl)pyrimidin2yl)sulfonyl)butanoyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl2(4(4(34dimethoxyphenyl)6(trifluoromethyl)pyrimidin2yl)sulfonylbutanoylamino)4567tetrahydro1benzothiophene3carboxylate
MFCD06164221
ZINC000098043173
ZINC98043173
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