Vitas-M small molecule compound
2-{4-[(Z)-(4,6-dioxo-1-phenyl-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-2-ethoxyphenoxy}propanoic acid
Catalog ID
STK191555
SMILES CCOc1cc(ccc1OC(C(=O)O)C)/C=C\1/C(=O)NC(=S)N(C1=O)c1ccccc1
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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 C22H20N2O6S MW 440.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N2O6S/c1-3-29-18-12-14(9-10-17(18)30-13(2)21(27)28)11-16-19(25)23-22(31)24(20(16)26)15-7-5-4-6-8-15/h4-13H,3H2,1-2H3,(H,27,28)(H,23,25,31)/b16-11-InChIKey
KSUWOAIIHRDNQH-WJDWOHSUSA-NSynonyms
2(4((46DIOXO1PHENYL2THIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)2ETHOXYPHENOXY)PROPANOICACID
2(4((Z)(46DIOXO1PHENYL2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)2ETHOXYPHENOXY)PROPANOICACID
2(4((Z)(46DIOXO1PHENYL2THIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)2ETHOXYPHENOXY)PROPANOICACID
CCOC1=C(C=CC(=C1)C=C2C(=O)NC(=S)N(C2=O)C3=CC=CC=C3)OC(C)C(=O)O
CCOc1cc(ccc1OC(C(=O)O)C)C=C1C(=O)NC(=S)N(C1=O)c1ccccc1
InChI=1SC22H20N2O6Sc1329181214(91017(18)3013(2)21(27)28)111619(25)2322(31)24(20(16)26)157546815h413H3H212H3(H2728)(H232531)b1611
MFCD03228193
ZINC000002142092
ZINC000002142096
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