Vitas-M small molecule compound
ethyl 2-[3-hydroxy-3-(trifluoromethyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]-1,3-thiazole-4-carboxylate
Catalog ID
STL441674
SMILES CCOC(=O)c1csc(n1)N1N=C2C(C1(O)C(F)(F)F)CCCC2
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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 C14H16F3N3O3S MW 363.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H16F3N3O3S/c1-2-23-11(21)10-7-24-12(18-10)20-13(22,14(15,16)17)8-5-3-4-6-9(8)19-20/h7-8,22H,2-6H2,1H3InChIKey
RREFNSODHJKENG-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CSC(=N1)N2C(C3CCCCC3=N2)(C(F)(F)F)O
ethyl2(3hydroxy3(trifluoromethyl)33a4567hexahydro2Hindazol2yl)13thiazole4carboxylate
ethyl2(3hydroxy3(trifluoromethyl)4567tetrahydro3aHindazol2yl)13thiazole4carboxylate
InChI=1SC14H16F3N3O3Sc122311(21)1072412(1810)2013(2214(1516)17)853469(8)1920h7822H26H21H3
MFCD08060356
ZINC000005274975
ZINC000005274978
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