Vitas-M small molecule compound
methyl 3,6-dihydroxy-6-methyl-4-phenyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxylate
Catalog ID
STK782826
SMILES COC(=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 C16H18N2O4 MW 302.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H18N2O4/c1-16(21)8-10-12(14(19)18-17-10)11(13(16)15(20)22-2)9-6-4-3-5-7-9/h3-7,11,13,21H,8H2,1-2H3,(H2,17,18,19)InChIKey
VZHOLBOAQIAJJD-UHFFFAOYSA-NSynonyms
CC1(CC2=C(C(C1C(=O)OC)C3=CC=CC=C3)C(=O)NN2)O
COC(=O)C1C(c2ccccc2)c2c(CC1(C)O)(nH)nc2O
InChI=1SC16H18N2O4c116(21)81012(14(19)181710)11(13(16)15(20)222)9643579h37111321H8H212H3(H2171819)
methyl36dihydroxy6methyl4phenyl4567tetrahydro1Hindazole5carboxylate
methyl6hydroxy6methyl3oxo4phenyl2457tetrahydro1Hindazole5carboxylate
MFCD06590950
ZINC000012384517
ZINC000012384520
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