Vitas-M small molecule compound

2-(2-ethoxy-4-{(Z)-[1-(2-ethylphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)propanoic acid

Catalog ID
STK196873
SMILES CCOc1cc(ccc1OC(C(=O)O)C)/C=C\1/C(=O)NC(=S)N(C1=O)c1ccccc1CC

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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 C24H24N2O6S MW 468.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H24N2O6S/c1-4-16-8-6-7-9-18(16)26-22(28)17(21(27)25-24(26)33)12-15-10-11-19(20(13-15)31-5-2)32-14(3)23(29)30/h6-14H,4-5H2,1-3H3,(H,29,30)(H,25,27,33)/b17-12-
InChIKey
JSXMJFPMOCAMOT-ATVHPVEESA-N
Synonyms
430469-27-5
2(2ETHOXY4((Z)(1(2ETHYLPHENYL)46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)PHENOXY)PROPANOICACID
2(2ETHOXY4((Z)(1(2ETHYLPHENYL)46DIOXO2THIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)PHENOXY)PROPANOICACID
430469275
CCC1=CC=CC=C1N2C(=O)C(=CC3=CC(=C(C=C3)OC(C)C(=O)O)OCC)C(=O)NC2=S
CCOc1cc(ccc1OC(C(=O)O)C)C=C1C(=O)NC(=S)N(C1=O)c1ccccc1CC
InChI=1SC24H24N2O6Sc1416867918(16)2622(28)17(21(27)2524(26)33)1215101119(20(1315)3152)3214(3)23(29)30h614H45H213H3(H2930)(H252733)b1712
MFCD03139178
ZINC000012363640
ZINC000012363643

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Available files

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