Vitas-M small molecule compound
2-(4-chlorobenzyl)-4-[(3-chloro-2-methylphenyl)amino]-4-oxobutanoic acid
Catalog ID
STL442290
SMILES O=C(Nc1cccc(c1C)Cl)CC(C(=O)O)Cc1ccc(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 C18H17Cl2NO3 MW 366.24 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17Cl2NO3/c1-11-15(20)3-2-4-16(11)21-17(22)10-13(18(23)24)9-12-5-7-14(19)8-6-12/h2-8,13H,9-10H2,1H3,(H,21,22)(H,23,24)InChIKey
HGOPOJGRIIDOBX-UHFFFAOYSA-NSynonyms
2(4chlorobenzyl)4((3chloro2methylphenyl)amino)4oxobutanoicacid
4(3chloro2methylanilino)2((4chlorophenyl)methyl)4oxobutanoicacid
CC1=C(C=CC=C1Cl)NC(=O)CC(CC2=CC=C(C=C2)Cl)C(=O)O
InChI=1SC18H17Cl2NO3c11115(20)32416(11)2117(22)1013(18(23)24)9125714(19)8612h2813H910H21H3(H2122)(H2324)
MFCD02042480
ZINC000005921540
ZINC000005921541
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