Vitas-M small molecule compound
propan-2-yl 2-({[5-bromo-2-(difluoromethoxy)phenyl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STL177270
SMILES CC(OC(=O)c1c(NC(=O)c2cc(Br)ccc2OC(F)F)sc2c1CCCC2)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 C20H20BrF2NO4S MW 488.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20BrF2NO4S/c1-10(2)27-19(26)16-12-5-3-4-6-15(12)29-18(16)24-17(25)13-9-11(21)7-8-14(13)28-20(22)23/h7-10,20H,3-6H2,1-2H3,(H,24,25)InChIKey
XGOKFHLJMNOQAF-UHFFFAOYSA-NSynonyms
828284-10-2828284102
CC(C)OC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=C(C=CC(=C3)Br)OC(F)F
InChI=1SC20H20BrF2NO4Sc110(2)2719(26)1612534615(12)2918(16)2417(25)13911(21)7814(13)2820(22)23h71020H36H212H3(H2425)
MFCD04052582
propan2yl2(((5bromo2(difluoromethoxy)phenyl)carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
propan2yl2((5bromo2(difluoromethoxy)benzoyl)amino)4567tetrahydro1benzothiophene3carboxylate
ZINC000002791710
ZINC02791710
ZINC2791710
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