Vitas-M small molecule compound
benzyl 4-[4-(diethylamino)phenyl]-6-hydroxy-6-methyl-3-oxo-2,3,4,5,6,7-hexahydro-1H-indazole-5-carboxylate
Catalog ID
STK686990
SMILES CCN(c1ccc(cc1)C1c2c([nH][nH]c2=O)CC(C1C(=O)OCc1ccccc1)(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 C26H31N3O4 MW 449.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H31N3O4/c1-4-29(5-2)19-13-11-18(12-14-19)21-22-20(27-28-24(22)30)15-26(3,32)23(21)25(31)33-16-17-9-7-6-8-10-17/h6-14,21,23,32H,4-5,15-16H2,1-3H3,(H2,27,28,30)InChIKey
QCRWDEYAJVFLBJ-UHFFFAOYSA-NSynonyms
benzyl4(4(diethylamino)phenyl)6hydroxy6methyl3oxo234567hexahydro1Hindazole5carboxylate
benzyl4(4(diethylamino)phenyl)6hydroxy6methyl3oxo2457tetrahydro1Hindazole5carboxylate
CCN(c1ccc(cc1)C1c2c((nH)(nH)c2=O)CC(C1C(=O)OCc1ccccc1)(C)O)CC
CCN(CC)C1=CC=C(C=C1)C2C(C(CC3=C2C(=O)NN3)(C)O)C(=O)OCC4=CC=CC=C4
InChI=1SC26H31N3O4c1429(52)19131118(121419)212220(272824(22)30)1526(332)23(21)25(31)33161797681017h614212332H451516H213H3(H2272830)
MFCD06617090
ZINC000009408872
ZINC000245256505
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