Vitas-M small molecule compound

methyl 6-tert-butyl-2-({[4-(difluoromethoxy)-3-methoxyphenyl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Catalog ID
STK302627
SMILES COC(=O)c1c(NC(=O)c2ccc(c(c2)OC)OC(F)F)sc2c1CCC(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 C23H27F2NO5S MW 467.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H27F2NO5S/c1-23(2,3)13-7-8-14-17(11-13)32-20(18(14)21(28)30-5)26-19(27)12-6-9-15(31-22(24)25)16(10-12)29-4/h6,9-10,13,22H,7-8,11H2,1-5H3,(H,26,27)
InChIKey
IWLHIWMCRYTMLU-UHFFFAOYSA-N
Synonyms
723252-72-0
723252720
CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3=CC(=C(C=C3)OC(F)F)OC
InChI=1SC23H27F2NO5Sc123(23)13781417(1113)3220(18(14)21(28)305)2619(27)126915(3122(24)25)16(1012)294h69101322H7811H215H3(H2627)
methyl6tertbutyl2(((4(difluoromethoxy)3methoxyphenyl)carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl6tertbutyl2((4(difluoromethoxy)3methoxybenzoyl)amino)4567tetrahydro1benzothiophene3carboxylate
MFCD04048515
ZINC000002739545
ZINC000002739546

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.