Vitas-M small molecule compound
4-[(7E)-7-(2-chlorobenzylidene)-3-(2-chlorophenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]-4-oxobutanoic acid
Catalog ID
STK993741
SMILES OC(=O)CCC(=O)N1N=C2C(C1c1ccccc1Cl)CCC/C/2=C\c1ccccc1Cl
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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/c25-19-10-3-1-6-15(19)14-16-7-5-9-18-23(16)27-28(21(29)12-13-22(30)31)24(18)17-8-2-4-11-20(17)26/h1-4,6,8,10-11,14,18,24H,5,7,9,12-13H2,(H,30,31)/b16-14+InChIKey
ALXMPPFYNAVIHA-JQIJEIRASA-NSynonyms
4((7E)3(2CHLOROPHENYL)7((2CHLOROPHENYL)METHYLIDENE)3A456TETRAHYDRO3HINDAZOL2YL)4OXOBUTANOICACID
4((7E)7(2chlorobenzylidene)3(2chlorophenyl)33a4567hexahydro2Hindazol2yl)4oxobutanoicacid
C1CC2C(N(N=C2C(=CC3=CC=CC=C3Cl)C1)C(=O)CCC(=O)O)C4=CC=CC=C4Cl
InChI=1SC24H22Cl2N2O3c25191031615(19)14167591823(16)2728(21(29)121322(30)31)24(18)178241120(17)26h14681011141824H5791213H2(H3031)b1614+
MFCD02719492
OC(=O)CCC(=O)N1N=C2C(C1c1ccccc1Cl)CCCC2=Cc1ccccc1Cl
ZINC000012564353
ZINC000012564358
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