Vitas-M small molecule compound

6-tert-butyl-2-[(tricyclo[3.3.1.1~3,7~]dec-1-ylcarbonyl)amino]-N-[2-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Catalog ID
STK677244
SMILES O=C(C12CC3CC(C2)CC(C1)C3)Nc1sc2c(c1C(=O)Nc1ccccc1C(F)(F)F)CCC(C2)C(C)(C)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 C31H37F3N2O2S MW 558.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H37F3N2O2S/c1-29(2,3)20-8-9-21-24(13-20)39-27(25(21)26(37)35-23-7-5-4-6-22(23)31(32,33)34)36-28(38)30-14-17-10-18(15-30)12-19(11-17)16-30/h4-7,17-20H,8-16H2,1-3H3,(H,35,37)(H,36,38)
InChIKey
KNHFMUJZTXRKSW-UHFFFAOYSA-N
Synonyms

2(adamantane1carbonylamino)6tertbutylN(2(trifluoromethyl)phenyl)4567tetrahydro1benzothiophene3carboxamide
6tertbutyl2((tricyclo(3311~37~)dec1ylcarbonyl)amino)N(2(trifluoromethyl)phenyl)4567tetrahydro1benzothiophene3carboxamide
CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)NC3=CC=CC=C3C(F)(F)F)NC(=O)C45CC6CC(C4)CC(C6)C5
InChI=1SC31H37F3N2O2Sc129(23)20892124(1320)3927(25(21)26(37)3523754622(23)31(3233)34)3628(38)3014171018(1530)1219(1117)1630h471720H816H213H3(H3537)(H3638)
MFCD02933031
ZINC000033354510
ZINC000033354514

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Available files

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