Vitas-M small molecule compound
diethyl 1-{2-[(7E)-7-(4-methylbenzylidene)-3-(4-methylphenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]-2-oxoethyl}-1H-1,2,3-triazole-4,5-dicarboxylate
Catalog ID
STL175912
SMILES CCOC(=O)c1n(nnc1C(=O)OCC)CC(=O)N1N=C2C(C1c1ccc(cc1)C)CCC/C/2=C\c1ccc(cc1)C
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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 C32H35N5O5 MW 569.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H35N5O5/c1-5-41-31(39)28-30(32(40)42-6-2)36(35-33-28)19-26(38)37-29(23-16-12-21(4)13-17-23)25-9-7-8-24(27(25)34-37)18-22-14-10-20(3)11-15-22/h10-18,25,29H,5-9,19H2,1-4H3/b24-18+InChIKey
PSXNFYLNHSUHMF-HKOYGPOVSA-NSynonyms
512813-91-1512813911
CCOC(=O)C1=C(N(N=N1)CC(=O)N2C(C3CCCC(=CC4=CC=C(C=C4)C)C3=N2)C5=CC=C(C=C5)C)C(=O)OCC
CCOC(=O)c1n(nnc1C(=O)OCC)CC(=O)N1N=C2C(C1c1ccc(cc1)C)CCCC2=Cc1ccc(cc1)C
DIETHYL1(2((7E)3(4METHYLPHENYL)7((4METHYLPHENYL)METHYLIDENE)3A456TETRAHYDRO3HINDAZOL2YL)2OXOETHYL)TRIAZOLE45DICARBOXYLATE
diethyl1(2((7E)7(4methylbenzylidene)3(4methylphenyl)33a4567hexahydro2Hindazol2yl)2oxoethyl)1H123triazole45dicarboxylate
InChI=1SC32H35N5O5c154131(39)2830(32(40)4262)36(353328)1926(38)3729(23161221(4)131723)2597824(27(25)3437)1822141020(3)111522h10182529H5919H214H3b2418+
MFCD03466788
ZINC000008454973
ZINC000008454976
Check stock
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Check stock on Vitas-MAvailable files
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