Vitas-M small molecule compound
4-[(3-chloro-2-methylphenyl)amino]-3-methyl-2-(4-methylbenzyl)-4-oxobutanoic acid
Catalog ID
STL442298
SMILES Cc1ccc(cc1)CC(C(C(=O)Nc1cccc(c1C)Cl)C)C(=O)O
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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/c1-12-7-9-15(10-8-12)11-16(20(24)25)13(2)19(23)22-18-6-4-5-17(21)14(18)3/h4-10,13,16H,11H2,1-3H3,(H,22,23)(H,24,25)InChIKey
HWPYXNZTJGFSAT-UHFFFAOYSA-NSynonyms
4((3chloro2methylphenyl)amino)3methyl2(4methylbenzyl)4oxobutanoicacid
4(3chloro2methylanilino)3methyl2((4methylphenyl)methyl)4oxobutanoicacid
CC1=CC=C(C=C1)CC(C(C)C(=O)NC2=C(C(=CC=C2)Cl)C)C(=O)O
InChI=1SC20H22ClNO3c1127915(10812)1116(20(24)25)13(2)19(23)221864517(21)14(18)3h4101316H11H213H3(H2223)(H2425)
MFCD09653690
ZINC000035142024
ZINC000035142032
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