Vitas-M small molecule compound
methyl 4-(4-fluorophenyl)-3,6-dihydroxy-6-methyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxylate
Catalog ID
STK782828
SMILES COC(=O)C1C(c2ccc(cc2)F)c2c(CC1(C)O)[nH]nc2O
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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 C16H17FN2O4 MW 320.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17FN2O4/c1-16(22)7-10-12(14(20)19-18-10)11(13(16)15(21)23-2)8-3-5-9(17)6-4-8/h3-6,11,13,22H,7H2,1-2H3,(H2,18,19,20)InChIKey
GEABFLISLCYQKM-UHFFFAOYSA-NSynonyms
CC1(CC2=C(C(C1C(=O)OC)C3=CC=C(C=C3)F)C(=O)NN2)O
COC(=O)C1C(c2ccc(cc2)F)c2c(CC1(C)O)(nH)nc2O
InChI=1SC16H17FN2O4c116(22)71012(14(20)191810)11(13(16)15(21)232)8359(17)648h36111322H7H212H3(H2181920)
methyl4(4fluorophenyl)36dihydroxy6methyl4567tetrahydro1Hindazole5carboxylate
methyl4(4fluorophenyl)6hydroxy6methyl3oxo2457tetrahydro1Hindazole5carboxylate
MFCD06590951
ZINC000012384508
ZINC000012384511
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