Vitas-M small molecule compound
ethyl 2-[3-hydroxy-3-(trifluoromethyl)-3a,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-2(3H)-yl]-1,3-thiazole-4-carboxylate
Catalog ID
STL441846
SMILES CCOC(=O)c1csc(n1)N1N=C2C(C1(O)C(F)(F)F)CCCCC2
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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 C15H18F3N3O3S MW 377.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H18F3N3O3S/c1-2-24-12(22)11-8-25-13(19-11)21-14(23,15(16,17)18)9-6-4-3-5-7-10(9)20-21/h8-9,23H,2-7H2,1H3InChIKey
JUJKOZMSYQVHBS-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CSC(=N1)N2C(C3CCCCCC3=N2)(C(F)(F)F)O
ethyl2(3hydroxy3(trifluoromethyl)3a45678hexahydrocyclohepta(c)pyrazol2(3H)yl)13thiazole4carboxylate
ethyl2(3hydroxy3(trifluoromethyl)3a45678hexahydrocyclohepta(c)pyrazol2yl)13thiazole4carboxylate
InChI=1SC15H18F3N3O3Sc122412(22)1182513(1911)2114(2315(1617)18)96435710(9)2021h8923H27H21H3
MFCD09992537
ZINC000025186018
ZINC000025186039
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