Vitas-M small molecule compound
methyl 2-[3-hydroxy-7-methoxy-3-(trifluoromethyl)-3,3a,4,5-tetrahydro-2H-benzo[g]indazol-2-yl]-1,3-thiazole-4-carboxylate
Catalog ID
STL448528
SMILES COc1ccc2c(c1)CCC1C2=NN(C1(O)C(F)(F)F)c1scc(n1)C(=O)OC
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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 C18H16F3N3O4S MW 427.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16F3N3O4S/c1-27-10-4-5-11-9(7-10)3-6-12-14(11)23-24(17(12,26)18(19,20)21)16-22-13(8-29-16)15(25)28-2/h4-5,7-8,12,26H,3,6H2,1-2H3InChIKey
GUGKDIFGPJWWEK-UHFFFAOYSA-NSynonyms
COC1=CC2=C(C=C1)C3=NN(C(C3CC2)(C(F)(F)F)O)C4=NC(=CS4)C(=O)OC
InChI=1SC18H16F3N3O4Sc1271045119(710)361214(11)2324(17(1226)18(1920)21)162213(82916)15(25)282h45781226H36H212H3
methyl2(3hydroxy7methoxy3(trifluoromethyl)33a45tetrahydro2Hbenzo(g)indazol2yl)13thiazole4carboxylate
methyl2(3hydroxy7methoxy3(trifluoromethyl)45dihydro3aHbenzo(g)indazol2yl)13thiazole4carboxylate
MFCD08060406
ZINC000016957618
ZINC000016957624
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