Vitas-M small molecule compound

methyl 4-[4-(diethylamino)phenyl]-3,6-dihydroxy-6-methyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxylate

Catalog ID
STK782830
SMILES CCN(c1ccc(cc1)C1c2c([nH]nc2O)CC(C1C(=O)OC)(C)O)CC

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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 C20H27N3O4 MW 373.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H27N3O4/c1-5-23(6-2)13-9-7-12(8-10-13)15-16-14(21-22-18(16)24)11-20(3,26)17(15)19(25)27-4/h7-10,15,17,26H,5-6,11H2,1-4H3,(H2,21,22,24)
InChIKey
SZAQZCQNBDHKDQ-UHFFFAOYSA-N
Synonyms

CCN(c1ccc(cc1)C1c2c((nH)nc2O)CC(C1C(=O)OC)(C)O)CC
CCN(CC)C1=CC=C(C=C1)C2C(C(CC3=C2C(=O)NN3)(C)O)C(=O)OC
InChI=1SC20H27N3O4c1523(62)139712(81013)151614(212218(16)24)1120(326)17(15)19(25)274h710151726H5611H214H3(H2212224)
methyl4(4(diethylamino)phenyl)36dihydroxy6methyl4567tetrahydro1Hindazole5carboxylate
methyl4(4(diethylamino)phenyl)6hydroxy6methyl3oxo2457tetrahydro1Hindazole5carboxylate
MFCD06616924
ZINC000004625855
ZINC000245236502

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Available files

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