Vitas-M small molecule compound
ethyl 2-({[7-(difluoromethyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK960766
SMILES CCOC(=O)c1c(NC(=O)c2nn3c(n2)nc(cc3C(F)F)C)sc2c1CCC(C2)CC
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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 C21H23F2N5O3S MW 463.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23F2N5O3S/c1-4-11-6-7-12-14(9-11)32-19(15(12)20(30)31-5-2)26-18(29)17-25-21-24-10(3)8-13(16(22)23)28(21)27-17/h8,11,16H,4-7,9H2,1-3H3,(H,26,29)InChIKey
ISBRJJVZSHATOQ-UHFFFAOYSA-NSynonyms
445035-53-0445035530
CCC1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=O)C3=NN4C(=CC(=NC4=N3)C)C(F)F
ethyl2(((7(difluoromethyl)5methyl(124)triazolo(15a)pyrimidin2yl)carbonyl)amino)6ethyl4567tetrahydro1benzothiophene3carboxylate
ethyl2((7(difluoromethyl)5methyl(124)triazolo(15a)pyrimidine2carbonyl)amino)6ethyl4567tetrahydro1benzothiophene3carboxylate
InChI=1SC21H23F2N5O3Sc1411671214(911)3219(15(12)20(30)3152)2618(29)1725212410(3)813(16(22)23)28(21)2717h81116H479H213H3(H2629)
MFCD02175862
ZINC000001003042
ZINC000001003043
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