Vitas-M small molecule compound

3-methyl-5-oxo-4-[4-(trifluoromethyl)benzyl]-N-(2,4,6-trimethylphenyl)-2,3,4,5-tetrahydro-1,4-benzothiazepine-3-carboxamide

Catalog ID
STL439475
SMILES Cc1cc(C)c(c(c1)C)NC(=O)C1(C)CSc2c(C(=O)N1Cc1ccc(cc1)C(F)(F)F)cccc2

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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 C28H27F3N2O2S MW 512.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27F3N2O2S/c1-17-13-18(2)24(19(3)14-17)32-26(35)27(4)16-36-23-8-6-5-7-22(23)25(34)33(27)15-20-9-11-21(12-10-20)28(29,30)31/h5-14H,15-16H2,1-4H3,(H,32,35)
InChIKey
CNSNIOAUQYDILO-UHFFFAOYSA-N
Synonyms

3METHYL5OXO4((4(TRIFLUOROMETHYL)PHENYL)METHYL)N(246TRIMETHYLPHENYL)2H14BENZOTHIAZEPINE3CARBOXAMIDE
3methyl5oxo4(4(trifluoromethyl)benzyl)N(246trimethylphenyl)2345tetrahydro14benzothiazepine3carboxamide
CC1=CC(=C(C(=C1)C)NC(=O)C2(CSC3=CC=CC=C3C(=O)N2CC4=CC=C(C=C4)C(F)(F)F)C)C
InChI=1SC28H27F3N2O2Sc1171318(2)24(19(3)1417)3226(35)27(4)163623865722(23)25(34)33(27)152091121(121020)28(2930)31h514H1516H214H3(H3235)
MFCD06245025
ZINC000003764918
ZINC000003764919

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Available files

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