Vitas-M small molecule compound
(2E)-2-(3-chloro-4-methylphenyl)but-2-enedioic acid
Catalog ID
STK950464
SMILES OC(=O)/C=C(\c1ccc(c(c1)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 C11H9ClO4 MW 240.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C11H9ClO4/c1-6-2-3-7(4-9(6)12)8(11(15)16)5-10(13)14/h2-5H,1H3,(H,13,14)(H,15,16)/b8-5+InChIKey
XIUQWUZNMKFNHT-VMPITWQZSA-NSynonyms
(2E)2(3chloro4methylphenyl)but2enedioicacid
(E)2(3chloro4methylphenyl)but2enedioicacid
CC1=C(C=C(C=C1)C(=CC(=O)O)C(=O)O)Cl
InChI=1SC11H9ClO4c16237(49(6)12)8(11(15)16)510(13)14h25H1H3(H1314)(H1516)b85+
MFCD09983525
OC(=O)C=C(c1ccc(c(c1)Cl)C)C(=O)O
ZINC000011692816
ZINC11692816
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