Vitas-M small molecule compound
1-{2-[(7E)-7-(4-methylbenzylidene)-3-(4-methylphenyl)-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
STK317755
SMILES Cc1ccc(cc1)C1N(N=C2C1CCC/C/2=C\c1ccc(cc1)C)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 C35H34N6O3 MW 586.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H34N6O3/c1-21-7-13-24(14-8-21)19-26-5-4-6-28-30(26)37-41(32(28)25-15-9-22(2)10-16-25)29(42)20-39-33-31(36-38-39)34(43)40(35(33)44)27-17-11-23(3)12-18-27/h7-19,28,31-33H,4-6,20H2,1-3H3/b26-19+InChIKey
DORLHZVCQKOOCN-LGUFXXKBSA-NSynonyms
494217-97-91(2((7E)7(4methylbenzylidene)3(4methylphenyl)33a4567hexahydro2Hindazol2yl)2oxoethyl)5(4methylphenyl)3a6adihydropyrrolo(34d)(123)triazole46(1H5H)dione
494217979
5(4METHYLPHENYL)3(2((7E)3(4METHYLPHENYL)7((4METHYLPHENYL)METHYLIDENE)3A456TETRAHYDRO3HINDAZOL2YL)2OXOETHYL)3A6ADIHYDROPYRROLO(34D)TRIAZOLE46DIONE
CC1=CC=C(C=C1)C=C2CCCC3C2=NN(C3C4=CC=C(C=C4)C)C(=O)CN5C6C(C(=O)N(C6=O)C7=CC=C(C=C7)C)N=N5
Cc1ccc(cc1)C1N(N=C2C1CCCC2=Cc1ccc(cc1)C)C(=O)CN1N=NC2C1C(=O)N(C2=O)c1ccc(cc1)C
InChI=1SC35H34N6O3c12171324(14821)19265462830(26)3741(32(28)2515922(2)101625)29(42)20393331(363839)34(43)40(35(33)44)27171123(3)121827h719283133H4620H213H3b2619+
MFCD02609135
ZINC000008454585
ZINC000245225692
Check stock
See real-time availability and sample size for STK317755 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.