Vitas-M small molecule compound
(5E)-1-(2,4-dimethylphenyl)-5-{[1-(4-hydroxyphenyl)-1H-pyrrol-2-yl]methylidene}-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK000779
SMILES Oc1ccc(cc1)n1cccc1/C=C/1\C(=O)NC(=S)N(C1=O)c1ccc(cc1C)C
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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 C23H19N3O3S MW 417.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H19N3O3S/c1-14-5-10-20(15(2)12-14)26-22(29)19(21(28)24-23(26)30)13-17-4-3-11-25(17)16-6-8-18(27)9-7-16/h3-13,27H,1-2H3,(H,24,28,30)/b19-13+InChIKey
RJHANYYDWUIERL-CPNJWEJPSA-NSynonyms
(5E)1(24DIMETHYLPHENYL)5((1(4HYDROXYPHENYL)1HPYRROL2YL)METHYLIDENE)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
(5E)1(24DIMETHYLPHENYL)5((1(4HYDROXYPHENYL)PYRROL2YL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
CC1=CC(=C(C=C1)N2C(=O)C(=CC3=CC=CN3C4=CC=C(C=C4)O)C(=O)NC2=S)C
InChI=1SC23H19N3O3Sc11451020(15(2)1214)2622(29)19(21(28)2423(26)30)1317431125(17)166818(27)9716h31327H12H3(H242830)b1913+
MFCD08048989
Oc1ccc(cc1)n1cccc1C=C1C(=O)NC(=S)N(C1=O)c1ccc(cc1C)C
STK000779
ZINC000004547168
ZINC04547168
ZINC4547168
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