Vitas-M small molecule compound
ethyl 6-ethyl-2-({[5-(5-ethylthiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK449495
SMILES CCOC(=O)c1c(NC(=O)c2cc3n(n2)c(cc(n3)c2ccc(s2)CC)C(F)(F)F)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 C27H27F3N4O3S2 MW 576.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27F3N4O3S2/c1-4-14-7-9-16-20(11-14)39-25(23(16)26(36)37-6-3)32-24(35)18-13-22-31-17(19-10-8-15(5-2)38-19)12-21(27(28,29)30)34(22)33-18/h8,10,12-14H,4-7,9,11H2,1-3H3,(H,32,35)InChIKey
GDVNZIRVOOGKPK-UHFFFAOYSA-NSynonyms
CCC1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=O)C3=NN4C(=CC(=NC4=C3)C5=CC=C(S5)CC)C(F)(F)F
ethyl6ethyl2(((5(5ethylthiophen2yl)7(trifluoromethyl)pyrazolo(15a)pyrimidin2yl)carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl6ethyl2((5(5ethylthiophen2yl)7(trifluoromethyl)pyrazolo(15a)pyrimidine2carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC27H27F3N4O3S2c1414791620(1114)3925(23(16)26(36)3763)3224(35)1813223117(1910815(52)3819)1221(27(2829)30)34(22)3318h8101214H47911H213H3(H3235)
MFCD03467227
ZINC000002113169
ZINC000002113171
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