Vitas-M small molecule compound
2-(4-{(E)-[1-(3-chlorophenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2-methoxyphenoxy)propanoic acid
Catalog ID
STK187754
SMILES COc1cc(ccc1OC(C(=O)O)C)/C=C/1\C(=O)NC(=S)N(C1=O)c1cccc(c1)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 C21H17ClN2O6S MW 460.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17ClN2O6S/c1-11(20(27)28)30-16-7-6-12(9-17(16)29-2)8-15-18(25)23-21(31)24(19(15)26)14-5-3-4-13(22)10-14/h3-11H,1-2H3,(H,27,28)(H,23,25,31)/b15-8+InChIKey
WWUJZDXFMPDQNS-OVCLIPMQSA-NSynonyms
2(4((E)(1(3CHLOROPHENYL)46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)2METHOXYPHENOXY)PROPANOICACID
2(4((E)(1(3CHLOROPHENYL)46DIOXO2THIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)2METHOXYPHENOXY)PROPANOICACID
CC(C(=O)O)OC1=C(C=C(C=C1)C=C2C(=O)NC(=S)N(C2=O)C3=CC(=CC=C3)Cl)OC
COc1cc(ccc1OC(C(=O)O)C)C=C1C(=O)NC(=S)N(C1=O)c1cccc(c1)Cl
InChI=1SC21H17ClN2O6Sc111(20(27)28)30167612(917(16)292)81518(25)2321(31)24(19(15)26)1453413(22)1014h311H12H3(H2728)(H232531)b158+
MFCD03711749
ZINC000003004653
ZINC000003465696
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