Vitas-M small molecule compound
1-{2-[(7E)-7-(2,4-dichlorobenzylidene)-3-(2,4-dichlorophenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]-2-oxoethyl}-5-(2,6-dimethylphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Catalog ID
STK305081
SMILES Clc1ccc(c(c1)Cl)C1N(N=C2C1CCC/C/2=C\c1ccc(cc1Cl)Cl)C(=O)CN1N=NC2C1C(=O)N(C2=O)c1c(C)cccc1C
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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 C34H28Cl4N6O3 MW 710.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H28Cl4N6O3/c1-17-5-3-6-18(2)30(17)43-33(46)29-32(34(43)47)42(41-39-29)16-27(45)44-31(23-12-11-22(36)15-26(23)38)24-8-4-7-20(28(24)40-44)13-19-9-10-21(35)14-25(19)37/h3,5-6,9-15,24,29,31-32H,4,7-8,16H2,1-2H3/b20-13+InChIKey
RLIKATWJJBOXFR-DEDYPNTBSA-NSynonyms
1025151-56-71(2((7E)7(24dichlorobenzylidene)3(24dichlorophenyl)33a4567hexahydro2Hindazol2yl)2oxoethyl)5(26dimethylphenyl)3a6adihydropyrrolo(34d)(123)triazole46(1H5H)dione
1025151567
3(2((7E)3(24DICHLOROPHENYL)7((24DICHLOROPHENYL)METHYLIDENE)3A456TETRAHYDRO3HINDAZOL2YL)2OXOETHYL)5(26DIMETHYLPHENYL)3A6ADIHYDROPYRROLO(34D)TRIAZOLE46DIONE
CC1=C(C(=CC=C1)C)N2C(=O)C3C(C2=O)N(N=N3)CC(=O)N4C(C5CCCC(=CC6=C(C=C(C=C6)Cl)Cl)C5=N4)C7=C(C=C(C=C7)Cl)Cl
Clc1ccc(c(c1)Cl)C1N(N=C2C1CCCC2=Cc1ccc(cc1Cl)Cl)C(=O)CN1N=NC2C1C(=O)N(C2=O)c1c(C)cccc1C
InChI=1SC34H28Cl4N6O3c11753618(2)30(17)4333(46)2932(34(43)47)42(413929)1627(45)4431(23121122(36)1526(23)38)2484720(28(24)4044)131991021(35)1425(19)37h35691524293132H47816H212H3b2013+
MFCD04049526
ZINC000150650686
ZINC000245327808
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