Vitas-M small molecule compound

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

Catalog ID
STK770726
SMILES COC(=O)C1C(c2ccc(cc2)OC)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 C17H20N2O5 MW 332.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H20N2O5/c1-17(22)8-11-13(15(20)19-18-11)12(14(17)16(21)24-3)9-4-6-10(23-2)7-5-9/h4-7,12,14,22H,8H2,1-3H3,(H2,18,19,20)
InChIKey
RGSDRBMHTDALNV-UHFFFAOYSA-N
Synonyms

CC1(CC2=C(C(C1C(=O)OC)C3=CC=C(C=C3)OC)C(=O)NN2)O
COC(=O)C1C(c2ccc(cc2)OC)c2c(O)(nH)nc2CC1(C)O
InChI=1SC17H20N2O5c117(22)81113(15(20)191811)12(14(17)16(21)243)94610(232)759h47121422H8H213H3(H2181920)
methyl36dihydroxy4(4methoxyphenyl)6methyl4567tetrahydro2Hindazole5carboxylate
methyl6hydroxy4(4methoxyphenyl)6methyl3oxo2457tetrahydro1Hindazole5carboxylate
MFCD03766544
ZINC000015276490
ZINC000245226337

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Available files

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