Vitas-M small molecule compound
diethyl 1-{2-[(7E)-7-(4-methoxybenzylidene)-3-(4-methoxyphenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]-2-oxoethyl}-1H-1,2,3-triazole-4,5-dicarboxylate
Catalog ID
STL176200
SMILES CCOC(=O)c1n(nnc1C(=O)OCC)CC(=O)N1N=C2C(C1c1ccc(cc1)OC)CCC/C/2=C\c1ccc(cc1)OC
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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 C32H35N5O7 MW 601.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H35N5O7/c1-5-43-31(39)28-30(32(40)44-6-2)36(35-33-28)19-26(38)37-29(21-12-16-24(42-4)17-13-21)25-9-7-8-22(27(25)34-37)18-20-10-14-23(41-3)15-11-20/h10-18,25,29H,5-9,19H2,1-4H3/b22-18+InChIKey
IUJKADGPHRRBCP-RELWKKBWSA-NSynonyms
512817-64-0512817640
CCOC(=O)C1=C(N(N=N1)CC(=O)N2C(C3CCCC(=CC4=CC=C(C=C4)OC)C3=N2)C5=CC=C(C=C5)OC)C(=O)OCC
CCOC(=O)c1n(nnc1C(=O)OCC)CC(=O)N1N=C2C(C1c1ccc(cc1)OC)CCCC2=Cc1ccc(cc1)OC
DIETHYL1(2((7E)3(4METHOXYPHENYL)7((4METHOXYPHENYL)METHYLIDENE)3A456TETRAHYDRO3HINDAZOL2YL)2OXOETHYL)TRIAZOLE45DICARBOXYLATE
diethyl1(2((7E)7(4methoxybenzylidene)3(4methoxyphenyl)33a4567hexahydro2Hindazol2yl)2oxoethyl)1H123triazole45dicarboxylate
InChI=1SC32H35N5O7c154331(39)2830(32(40)4462)36(353328)1926(38)3729(21121624(424)171321)2597822(27(25)3437)1820101423(413)151120h10182529H5919H214H3b2218+
MFCD03468107
ZINC000008455333
ZINC000008455336
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.