Vitas-M small molecule compound
5-({[(2,6-dichlorobenzyl)sulfanyl]acetyl}amino)benzene-1,3-dicarboxylic acid
Catalog ID
STK266286
SMILES O=C(Nc1cc(cc(c1)C(=O)O)C(=O)O)CSCc1c(Cl)cccc1Cl
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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 C17H13Cl2NO5S MW 414.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H13Cl2NO5S/c18-13-2-1-3-14(19)12(13)7-26-8-15(21)20-11-5-9(16(22)23)4-10(6-11)17(24)25/h1-6H,7-8H2,(H,20,21)(H,22,23)(H,24,25)InChIKey
JXRCLJNXFRQBSW-UHFFFAOYSA-NSynonyms
5((((26dichlorobenzyl)sulfanyl)acetyl)amino)benzene13dicarboxylicacid
5((((26DICHLOROBENZYL)SULFANYL)ACETYL)AMINO)ISOPHTHALICACID
5((2((26DICHLOROPHENYL)METHYLSULFANYL)ACETYL)AMINO)BENZENE13DICARBOXYLICACID
C1=CC(=C(C(=C1)Cl)CSCC(=O)NC2=CC(=CC(=C2)C(=O)O)C(=O)O)Cl
InChI=1SC17H13Cl2NO5Sc181321314(19)12(13)726815(21)201159(16(22)23)410(611)17(24)25h16H78H2(H2021)(H2223)(H2425)
MFCD03785126
ZINC000008417639
ZINC8417639
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