Vitas-M small molecule compound
ethyl 3,6-dihydroxy-6-methyl-4-(3-nitrophenyl)-4,5,6,7-tetrahydro-2H-indazole-5-carboxylate
Catalog ID
STK845048
SMILES CCOC(=O)C1C(c2cccc(c2)[N+](=O)[O-])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 C17H19N3O6 MW 361.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H19N3O6/c1-3-26-16(22)14-12(9-5-4-6-10(7-9)20(24)25)13-11(8-17(14,2)23)18-19-15(13)21/h4-7,12,14,23H,3,8H2,1-2H3,(H2,18,19,21)InChIKey
UDVQDRNFAAQHTD-UHFFFAOYSA-NSynonyms
1212233-21-01212233210
CCOC(=O)C1C(C2=C(CC1(C)O)NNC2=O)C3=CC(=CC=C3)(N+)(=O)(O)
CCOC(=O)C1C(c2cccc(c2)(N+)(=O)(O))c2c(O)(nH)nc2CC1(C)O
ethyl36dihydroxy6methyl4(3nitrophenyl)4567tetrahydro2Hindazole5carboxylate
ethyl6hydroxy6methyl4(3nitrophenyl)3oxo2457tetrahydro1Hindazole5carboxylate
InChI=1SC17H19N3O6c132616(22)1412(954610(79)20(24)25)1311(817(142)23)181915(13)21h47121423H38H212H3(H2181921)
MFCD04010907
ZINC000001184531
ZINC000004754949
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