Vitas-M small molecule compound
4-[(4-chlorophenyl)amino]-2-(3,5-dimethylbenzyl)-3-methyl-4-oxobutanoic acid
Catalog ID
STL442332
SMILES O=C(C(C(C(=O)O)Cc1cc(C)cc(c1)C)C)Nc1ccc(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 C20H22ClNO3 MW 359.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22ClNO3/c1-12-8-13(2)10-15(9-12)11-18(20(24)25)14(3)19(23)22-17-6-4-16(21)5-7-17/h4-10,14,18H,11H2,1-3H3,(H,22,23)(H,24,25)InChIKey
WPOZRAXLPOUEII-UHFFFAOYSA-NSynonyms
4((4chlorophenyl)amino)2(35dimethylbenzyl)3methyl4oxobutanoicacid
4(4chloroanilino)2((35dimethylphenyl)methyl)3methyl4oxobutanoicacid
CC1=CC(=CC(=C1)CC(C(C)C(=O)NC2=CC=C(C=C2)Cl)C(=O)O)C
InChI=1SC20H22ClNO3c112813(2)1015(912)1118(20(24)25)14(3)19(23)22176416(21)5717h4101418H11H213H3(H2223)(H2425)
MFCD09653725
ZINC000035142338
ZINC000035142347
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