Vitas-M small molecule compound
1-{2-[(7E)-7-(4-ethoxybenzylidene)-3-(4-ethoxyphenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]-2-oxoethyl}-5-(4-methylphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Catalog ID
STL174836
SMILES CCOc1ccc(cc1)C1N(N=C2C1CCC/C/2=C\c1ccc(cc1)OCC)C(=O)CN1N=NC2C1C(=O)N(C2=O)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 C37H38N6O5 MW 646.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H38N6O5/c1-4-47-28-17-11-24(12-18-28)21-26-7-6-8-30-32(26)39-43(34(30)25-13-19-29(20-14-25)48-5-2)31(44)22-41-35-33(38-40-41)36(45)42(37(35)46)27-15-9-23(3)10-16-27/h9-21,30,33-35H,4-8,22H2,1-3H3/b26-21+InChIKey
IMYKOXVWBFZGFF-YYADALCUSA-NSynonyms
496010-66-31(2((7E)7(4ethoxybenzylidene)3(4ethoxyphenyl)33a4567hexahydro2Hindazol2yl)2oxoethyl)5(4methylphenyl)3a6adihydropyrrolo(34d)(123)triazole46(1H5H)dione
3(2((7E)3(4ETHOXYPHENYL)7((4ETHOXYPHENYL)METHYLIDENE)3A456TETRAHYDRO3HINDAZOL2YL)2OXOETHYL)5(4METHYLPHENYL)3A6ADIHYDROPYRROLO(34D)TRIAZOLE46DIONE
496010663
CCOC1=CC=C(C=C1)C=C2CCCC3C2=NN(C3C4=CC=C(C=C4)OCC)C(=O)CN5C6C(C(=O)N(C6=O)C7=CC=C(C=C7)C)N=N5
CCOc1ccc(cc1)C1N(N=C2C1CCCC2=Cc1ccc(cc1)OCC)C(=O)CN1N=NC2C1C(=O)N(C2=O)c1ccc(cc1)C
InChI=1SC37H38N6O5c144728171124(121828)21267683032(26)3943(34(30)25131929(201425)4852)31(44)22413533(384041)36(45)42(37(35)46)2715923(3)101627h921303335H4822H213H3b2621+
MFCD03073950
ZINC000008454377
ZINC000245227511
Check stock
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