Vitas-M small molecule compound

ethyl 4-(4-chlorophenyl)-3,6-dihydroxy-6-methyl-4,5,6,7-tetrahydro-2H-indazole-5-carboxylate

Catalog ID
STK785867
SMILES CCOC(=O)C1C(c2ccc(cc2)Cl)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 C17H19ClN2O4 MW 350.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H19ClN2O4/c1-3-24-16(22)14-12(9-4-6-10(18)7-5-9)13-11(8-17(14,2)23)19-20-15(13)21/h4-7,12,14,23H,3,8H2,1-2H3,(H2,19,20,21)
InChIKey
CUKIFGKQPMIJLC-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1C(C2=C(CC1(C)O)NNC2=O)C3=CC=C(C=C3)Cl
CCOC(=O)C1C(c2ccc(cc2)Cl)c2c(O)(nH)nc2CC1(C)O
ethyl4(4chlorophenyl)36dihydroxy6methyl4567tetrahydro2Hindazole5carboxylate
ethyl4(4chlorophenyl)6hydroxy6methyl3oxo2457tetrahydro1Hindazole5carboxylate
InChI=1SC17H19ClN2O4c132416(22)1412(94610(18)759)1311(817(142)23)192015(13)21h47121423H38H212H3(H2192021)
MFCD07800786
ZINC000006667962
ZINC000245226000

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.