Vitas-M small molecule compound
(4-{(E)-[1-(2,3-dichlorophenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2-methoxyphenoxy)acetic acid
Catalog ID
STL374348
SMILES COc1cc(ccc1OCC(=O)O)/C=C/1\C(=O)NC(=S)N(C1=O)c1cccc(c1Cl)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 C20H14Cl2N2O6S MW 481.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H14Cl2N2O6S/c1-29-15-8-10(5-6-14(15)30-9-16(25)26)7-11-18(27)23-20(31)24(19(11)28)13-4-2-3-12(21)17(13)22/h2-8H,9H2,1H3,(H,25,26)(H,23,27,31)/b11-7+InChIKey
YJPCBXKFZPSKMO-YRNVUSSQSA-NSynonyms
(4((E)(1(23dichlorophenyl)46dioxo2thioxotetrahydropyrimidin5(2H)ylidene)methyl)2methoxyphenoxy)aceticacid
2(4((E)(1(23DICHLOROPHENYL)46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)2METHOXYPHENOXY)ACETICACID
COC1=C(C=CC(=C1)C=C2C(=O)NC(=S)N(C2=O)C3=C(C(=CC=C3)Cl)Cl)OCC(=O)O
COc1cc(ccc1OCC(=O)O)C=C1C(=O)NC(=S)N(C1=O)c1cccc(c1Cl)Cl
InChI=1SC20H14Cl2N2O6Sc12915810(5614(15)30916(25)26)71118(27)2320(31)24(19(11)28)1342312(21)17(13)22h28H9H21H3(H2526)(H232731)b117+
MFCD02637789
ZINC000002973071
ZINC2973071
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