Vitas-M small molecule compound
ethyl 2-[({[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Catalog ID
STK783536
SMILES CCOC(=O)c1c(NC(=O)CSc2nc(C)cc(n2)C(F)(F)F)sc2c1CCCCC2
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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 C20H22F3N3O3S2 MW 473.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22F3N3O3S2/c1-3-29-18(28)16-12-7-5-4-6-8-13(12)31-17(16)26-15(27)10-30-19-24-11(2)9-14(25-19)20(21,22)23/h9H,3-8,10H2,1-2H3,(H,26,27)InChIKey
ZIXAFFHBSBCXKR-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=O)CSC3=NC(=CC(=N3)C(F)(F)F)C
ethyl2((((4methyl6(trifluoromethyl)pyrimidin2yl)sulfanyl)acetyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
ethyl2((2(4methyl6(trifluoromethyl)pyrimidin2yl)sulfanylacetyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
InChI=1SC20H22F3N3O3S2c132918(28)16127546813(12)3117(16)2615(27)1030192411(2)914(2519)20(2122)23h9H3810H212H3(H2627)
MFCD02086241
ZINC000012413880
ZINC12413880
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