Vitas-M small molecule compound
methyl 2-[3-hydroxy-3-(trifluoromethyl)-3,3a,4,5-tetrahydro-2H-benzo[g]indazol-2-yl]-1,3-thiazole-4-carboxylate
Catalog ID
STL448518
SMILES COC(=O)c1csc(n1)N1N=C2C(C1(O)C(F)(F)F)CCc1c2cccc1
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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 C17H14F3N3O3S MW 397.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H14F3N3O3S/c1-26-14(24)12-8-27-15(21-12)23-16(25,17(18,19)20)11-7-6-9-4-2-3-5-10(9)13(11)22-23/h2-5,8,11,25H,6-7H2,1H3InChIKey
IKZKQZJSILBQKE-UHFFFAOYSA-NSynonyms
COC(=O)C1=CSC(=N1)N2C(C3CCC4=CC=CC=C4C3=N2)(C(F)(F)F)O
InChI=1SC17H14F3N3O3Sc12614(24)1282715(2112)2316(2517(1819)20)11769423510(9)13(11)2223h2581125H67H21H3
methyl2(3hydroxy3(trifluoromethyl)33a45tetrahydro2Hbenzo(g)indazol2yl)13thiazole4carboxylate
methyl2(3hydroxy3(trifluoromethyl)45dihydro3aHbenzo(g)indazol2yl)13thiazole4carboxylate
MFCD08060396
ZINC000005275031
ZINC000005275034
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