Vitas-M small molecule compound
4-[(7E)-7-(4-chlorobenzylidene)-3-(4-chlorophenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]-4-oxobutanoic acid
Catalog ID
STK889111
SMILES OC(=O)CCC(=O)N1N=C2C(C1c1ccc(cc1)Cl)CCC/C/2=C\c1ccc(cc1)Cl
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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 C24H22Cl2N2O3 MW 457.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22Cl2N2O3/c25-18-8-4-15(5-9-18)14-17-2-1-3-20-23(17)27-28(21(29)12-13-22(30)31)24(20)16-6-10-19(26)11-7-16/h4-11,14,20,24H,1-3,12-13H2,(H,30,31)/b17-14+InChIKey
LLZZKDDEAGYORC-SAPNQHFASA-NSynonyms
4((7E)3(4CHLOROPHENYL)7((4CHLOROPHENYL)METHYLIDENE)3A456TETRAHYDRO3HINDAZOL2YL)4OXOBUTANOICACID
4((7E)7(4chlorobenzylidene)3(4chlorophenyl)33a4567hexahydro2Hindazol2yl)4oxobutanoicacid
C1CC2C(N(N=C2C(=CC3=CC=C(C=C3)Cl)C1)C(=O)CCC(=O)O)C4=CC=C(C=C4)Cl
InChI=1SC24H22Cl2N2O3c25188415(5918)14172132023(17)2728(21(29)121322(30)31)24(20)1661019(26)11716h411142024H131213H2(H3031)b1714+
MFCD01416490
OC(=O)CCC(=O)N1N=C2C(C1c1ccc(cc1)Cl)CCCC2=Cc1ccc(cc1)Cl
ZINC000013303413
ZINC000013303426
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