Vitas-M small molecule compound
methyl 2-[3-hydroxy-3-(trifluoromethyl)-3a,4,5,6-tetrahydrocyclopenta[c]pyrazol-2(3H)-yl]-1,3-thiazole-4-carboxylate
Catalog ID
STL441833
SMILES COC(=O)c1csc(n1)N1N=C2C(C1(O)C(F)(F)F)CCC2
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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 C12H12F3N3O3S MW 335.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H12F3N3O3S/c1-21-9(19)8-5-22-10(16-8)18-11(20,12(13,14)15)6-3-2-4-7(6)17-18/h5-6,20H,2-4H2,1H3InChIKey
MHWABVCPIKEMQO-UHFFFAOYSA-NSynonyms
COC(=O)C1=CSC(=N1)N2C(C3CCCC3=N2)(C(F)(F)F)O
InChI=1SC12H12F3N3O3Sc1219(19)852210(168)1811(2012(1314)15)63247(6)1718h5620H24H21H3
methyl2(3hydroxy3(trifluoromethyl)3a456tetrahydrocyclopenta(c)pyrazol2(3H)yl)13thiazole4carboxylate
methyl2(3hydroxy3(trifluoromethyl)3a456tetrahydrocyclopenta(c)pyrazol2yl)13thiazole4carboxylate
MFCD09992524
ZINC000025185915
ZINC000025185935
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