Vitas-M small molecule compound
ethyl 3,6-dihydroxy-6-methyl-4-phenyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxylate
Catalog ID
STK692376
SMILES CCOC(=O)C1C(c2ccccc2)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 C17H20N2O4 MW 316.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H20N2O4/c1-3-23-16(21)14-12(10-7-5-4-6-8-10)13-11(9-17(14,2)22)18-19-15(13)20/h4-8,12,14,22H,3,9H2,1-2H3,(H2,18,19,20)InChIKey
BQTVUFVSWJPWQV-UHFFFAOYSA-NSynonyms
CCOC(=O)C1C(C2=C(CC1(C)O)NNC2=O)C3=CC=CC=C3
CCOC(=O)C1C(c2ccccc2)c2c(CC1(C)O)(nH)nc2O
ethyl36dihydroxy6methyl4phenyl4567tetrahydro1Hindazole5carboxylate
ethyl6hydroxy6methyl3oxo4phenyl2457tetrahydro1Hindazole5carboxylate
InChI=1SC17H20N2O4c132316(21)1412(107546810)1311(917(142)22)181915(13)20h48121422H39H212H3(H2181920)
MFCD10038281
ZINC000015083203
ZINC000248241065
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