Vitas-M small molecule compound
1-{2-[(7E)-7-(4-methoxybenzylidene)-3-(4-methoxyphenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]-2-oxoethyl}-5-phenyl-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Catalog ID
STL175896
SMILES COc1ccc(cc1)C1N(N=C2C1CCC/C/2=C\c1ccc(cc1)OC)C(=O)CN1N=NC2C1C(=O)N(C2=O)c1ccccc1
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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 C34H32N6O5 MW 604.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H32N6O5/c1-44-25-15-11-21(12-16-25)19-23-7-6-10-27-29(23)36-40(31(27)22-13-17-26(45-2)18-14-22)28(41)20-38-32-30(35-37-38)33(42)39(34(32)43)24-8-4-3-5-9-24/h3-5,8-9,11-19,27,30-32H,6-7,10,20H2,1-2H3/b23-19+InChIKey
XYCYZVLQYDBKSS-FCDQGJHFSA-NSynonyms
1025213-57-31(2((7E)7(4methoxybenzylidene)3(4methoxyphenyl)33a4567hexahydro2Hindazol2yl)2oxoethyl)5phenyl3a6adihydropyrrolo(34d)(123)triazole46(1H5H)dione
1025213573
3(2((7E)3(4METHOXYPHENYL)7((4METHOXYPHENYL)METHYLIDENE)3A456TETRAHYDRO3HINDAZOL2YL)2OXOETHYL)5PHENYL3A6ADIHYDROPYRROLO(34D)TRIAZOLE46DIONE
COC1=CC=C(C=C1)C=C2CCCC3C2=NN(C3C4=CC=C(C=C4)OC)C(=O)CN5C6C(C(=O)N(C6=O)C7=CC=CC=C7)N=N5
COc1ccc(cc1)C1N(N=C2C1CCCC2=Cc1ccc(cc1)OC)C(=O)CN1N=NC2C1C(=O)N(C2=O)c1ccccc1
InChI=1SC34H32N6O5c14425151121(121625)192376102729(23)3640(31(27)22131726(452)181422)28(41)20383230(353738)33(42)39(34(32)43)248435924h35891119273032H671020H212H3b2319+
MFCD03466875
ZINC000008455013
ZINC000245225881
Check stock
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