Vitas-M small molecule compound
1-{2-[(7E)-7-(4-chlorobenzylidene)-3-(4-chlorophenyl)-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
STL174835
SMILES Clc1ccc(cc1)C1N(N=C2C1CCC/C/2=C\c1ccc(cc1)Cl)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 C33H28Cl2N6O3 MW 627.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H28Cl2N6O3/c1-19-5-15-25(16-6-19)40-32(43)29-31(33(40)44)39(38-36-29)18-27(42)41-30(21-9-13-24(35)14-10-21)26-4-2-3-22(28(26)37-41)17-20-7-11-23(34)12-8-20/h5-17,26,29-31H,2-4,18H2,1H3/b22-17+InChIKey
WPEPQBCAOGIBPU-OQKWZONESA-NSynonyms
496010-62-91(2((7E)7(4chlorobenzylidene)3(4chlorophenyl)33a4567hexahydro2Hindazol2yl)2oxoethyl)5(4methylphenyl)3a6adihydropyrrolo(34d)(123)triazole46(1H5H)dione
3(2((7E)3(4CHLOROPHENYL)7((4CHLOROPHENYL)METHYLIDENE)3A456TETRAHYDRO3HINDAZOL2YL)2OXOETHYL)5(4METHYLPHENYL)3A6ADIHYDROPYRROLO(34D)TRIAZOLE46DIONE
496010629
CC1=CC=C(C=C1)N2C(=O)C3C(C2=O)N(N=N3)CC(=O)N4C(C5CCCC(=CC6=CC=C(C=C6)Cl)C5=N4)C7=CC=C(C=C7)Cl
Clc1ccc(cc1)C1N(N=C2C1CCCC2=Cc1ccc(cc1)Cl)C(=O)CN1N=NC2C1C(=O)N(C2=O)c1ccc(cc1)C
InChI=1SC33H28Cl2N6O3c11951525(16619)4032(43)2931(33(40)44)39(383629)1827(42)4130(2191324(35)141021)2642322(28(26)3741)172071123(34)12820h517262931H2418H21H3b2217+
MFCD03073940
ZINC000105262675
ZINC000245228004
Check stock
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