Vitas-M small molecule compound
(5E)-1-(2-fluorophenyl)-5-{[1-(4-methoxyphenyl)-1H-pyrrol-2-yl]methylidene}-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK201076
SMILES COc1ccc(cc1)n1cccc1/C=C/1\C(=O)NC(=S)N(C1=O)c1ccccc1F
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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 C22H16FN3O3S MW 421.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H16FN3O3S/c1-29-16-10-8-14(9-11-16)25-12-4-5-15(25)13-17-20(27)24-22(30)26(21(17)28)19-7-3-2-6-18(19)23/h2-13H,1H3,(H,24,27,30)/b17-13+InChIKey
OXVKZVXYVPPNNX-GHRIWEEISA-NSynonyms
(5E)1(2FLUOROPHENYL)5((1(4METHOXYPHENYL)1HPYRROL2YL)METHYLIDENE)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
(5E)1(2FLUOROPHENYL)5((1(4METHOXYPHENYL)PYRROL2YL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
COC1=CC=C(C=C1)N2C=CC=C2C=C3C(=O)NC(=S)N(C3=O)C4=CC=CC=C4F
COc1ccc(cc1)n1cccc1C=C1C(=O)NC(=S)N(C1=O)c1ccccc1F
InChI=1SC22H16FN3O3Sc1291610814(91116)25124515(25)131720(27)2422(30)26(21(17)28)19732618(19)23h213H1H3(H242730)b1713+
MFCD03144790
ZINC000001151378
ZINC01151378
ZINC1151378
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