Vitas-M small molecule compound

ethyl 6-hydroxy-6-methyl-4-(4-nitrophenyl)-3-oxo-3,3a,4,5,6,7-hexahydro-2H-indazole-5-carboxylate

Catalog ID
STL048303
SMILES CCOC(=O)C1C(c2ccc(cc2)[N+](=O)[O-])C2C(=O)NN=C2CC1(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(9-4-6-10(7-5-9)20(24)25)13-11(8-17(14,2)23)18-19-15(13)21/h4-7,12-14,23H,3,8H2,1-2H3,(H,19,21)
InChIKey
KONHVAPSKTWBQT-UHFFFAOYSA-N
Synonyms
459155-70-5
459155705
CCOC(=O)C1C(C2C(=NNC2=O)CC1(C)O)C3=CC=C(C=C3)(N+)(=O)(O)
CCOC(=O)C1C(c2ccc(cc2)(N+)(=O)(O))C2C(=O)NN=C2CC1(C)O
ethyl6hydroxy6methyl4(4nitrophenyl)3oxo33a4567hexahydro2Hindazole5carboxylate
ETHYL6HYDROXY6METHYL4(4NITROPHENYL)3OXO3A457TETRAHYDRO2HINDAZOLE5CARBOXYLATE
InChI=1SC17H19N3O6c132616(22)1412(94610(759)20(24)25)1311(817(142)23)181915(13)21h47121423H38H212H3(H1921)
MFCD02160518
ZINC000100642336
ZINC000245296086

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Available files

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