Vitas-M small molecule compound
4-[(3,4-dichlorophenyl)amino]-2-(4-methoxybenzyl)-4-oxobutanoic acid
Catalog ID
STL442345
SMILES COc1ccc(cc1)CC(C(=O)O)CC(=O)Nc1ccc(c(c1)Cl)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 C18H17Cl2NO4 MW 382.24 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17Cl2NO4/c1-25-14-5-2-11(3-6-14)8-12(18(23)24)9-17(22)21-13-4-7-15(19)16(20)10-13/h2-7,10,12H,8-9H2,1H3,(H,21,22)(H,23,24)InChIKey
HNUOBBLJTKTPON-UHFFFAOYSA-NSynonyms
4((34dichlorophenyl)amino)2(4methoxybenzyl)4oxobutanoicacid
4(34dichloroanilino)2((4methoxyphenyl)methyl)4oxobutanoicacid
COC1=CC=C(C=C1)CC(CC(=O)NC2=CC(=C(C=C2)Cl)Cl)C(=O)O
InChI=1SC18H17Cl2NO4c125145211(3614)812(18(23)24)917(22)21134715(19)16(20)1013h271012H89H21H3(H2122)(H2324)
MFCD02575467
ZINC000000976087
ZINC000000976088
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