Vitas-M small molecule compound
methyl 2-({[3-(1,1,2,2-tetrafluoroethoxy)phenyl]carbonyl}amino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
Catalog ID
STK959160
SMILES COC(=O)c1c(NC(=O)c2cccc(c2)OC(C(F)F)(F)F)sc2c1CCCCCC2
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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 C21H21F4NO4S MW 459.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21F4NO4S/c1-29-19(28)16-14-9-4-2-3-5-10-15(14)31-18(16)26-17(27)12-7-6-8-13(11-12)30-21(24,25)20(22)23/h6-8,11,20H,2-5,9-10H2,1H3,(H,26,27)InChIKey
QFWSZYSZPRKMMI-UHFFFAOYSA-NSynonyms
438529-50-1438529501
COC(=O)C1=C(SC2=C1CCCCCC2)NC(=O)C3=CC(=CC=C3)OC(C(F)F)(F)F
InChI=1SC21H21F4NO4Sc12919(28)1614942351015(14)3118(16)2617(27)1276813(1112)3021(2425)20(22)23h681120H25910H21H3(H2627)
methyl2(((3(1122tetrafluoroethoxy)phenyl)carbonyl)amino)456789hexahydrocycloocta(b)thiophene3carboxylate
methyl2((3(1122tetrafluoroethoxy)benzoyl)amino)456789hexahydrocycloocta(b)thiophene3carboxylate
MFCD02055384
ZINC000002754338
ZINC02754338
ZINC2754338
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