Vitas-M small molecule compound
methyl 4-(1,3-benzodioxol-5-yl)-3,6-dihydroxy-6-methyl-4,5,6,7-tetrahydro-2H-indazole-5-carboxylate
Catalog ID
STK785434
SMILES COC(=O)C1C(c2ccc3c(c2)OCO3)c2c(O)[nH]nc2CC1(C)O
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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 C17H18N2O6 MW 346.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H18N2O6/c1-17(22)6-9-13(15(20)19-18-9)12(14(17)16(21)23-2)8-3-4-10-11(5-8)25-7-24-10/h3-5,12,14,22H,6-7H2,1-2H3,(H2,18,19,20)InChIKey
GUCHQXCXUUAWTR-UHFFFAOYSA-NSynonyms
CC1(CC2=C(C(C1C(=O)OC)C3=CC4=C(C=C3)OCO4)C(=O)NN2)O
COC(=O)C1C(c2ccc3c(c2)OCO3)c2c(O)(nH)nc2CC1(C)O
InChI=1SC17H18N2O6c117(22)6913(15(20)19189)12(14(17)16(21)232)8341011(58)2572410h35121422H67H212H3(H2181920)
methyl4(13benzodioxol5yl)36dihydroxy6methyl4567tetrahydro2Hindazole5carboxylate
methyl4(13benzodioxol5yl)6hydroxy6methyl3oxo2457tetrahydro1Hindazole5carboxylate
MFCD07658664
ZINC000015023720
ZINC000247817599
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