Vitas-M small molecule compound
methyl 2-[3-hydroxy-5-phenyl-3-(trifluoromethyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]-1,3-thiazole-4-carboxylate
Catalog ID
STL441686
SMILES COC(=O)c1csc(n1)N1N=C2C(C1(O)C(F)(F)F)CC(CC2)c1ccccc1
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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 C19H18F3N3O3S MW 425.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18F3N3O3S/c1-28-16(26)15-10-29-17(23-15)25-18(27,19(20,21)22)13-9-12(7-8-14(13)24-25)11-5-3-2-4-6-11/h2-6,10,12-13,27H,7-9H2,1H3InChIKey
CRGDPZWFEPSJKV-UHFFFAOYSA-NSynonyms
COC(=O)C1=CSC(=N1)N2C(C3CC(CCC3=N2)C4=CC=CC=C4)(C(F)(F)F)O
InChI=1SC19H18F3N3O3Sc12816(26)15102917(2315)2518(2719(2021)22)13912(7814(13)2425)115324611h2610121327H79H21H3
methyl2(3hydroxy5phenyl3(trifluoromethyl)33a4567hexahydro2Hindazol2yl)13thiazole4carboxylate
methyl2(3hydroxy5phenyl3(trifluoromethyl)4567tetrahydro3aHindazol2yl)13thiazole4carboxylate
MFCD08060372
ZINC000016957527
ZINC000247811284
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