Vitas-M small molecule compound
(5E)-1-(3,4-dimethylphenyl)-5-{[1-(4-hydroxyphenyl)-1H-pyrrol-2-yl]methylidene}-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK198019
SMILES Oc1ccc(cc1)n1cccc1/C=C/1\C(=O)NC(=S)N(C1=O)c1ccc(c(c1)C)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/c1-14-5-6-18(12-15(14)2)26-22(29)20(21(28)24-23(26)30)13-17-4-3-11-25(17)16-7-9-19(27)10-8-16/h3-13,27H,1-2H3,(H,24,28,30)/b20-13+InChIKey
XJFAKWYRUCVVOZ-DEDYPNTBSA-NSynonyms
(5E)1(34DIMETHYLPHENYL)5((1(4HYDROXYPHENYL)1HPYRROL2YL)METHYLIDENE)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
(5E)1(34DIMETHYLPHENYL)5((1(4HYDROXYPHENYL)PYRROL2YL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
CC1=C(C=C(C=C1)N2C(=O)C(=CC3=CC=CN3C4=CC=C(C=C4)O)C(=O)NC2=S)C
InChI=1SC23H19N3O3Sc1145618(1215(14)2)2622(29)20(21(28)2423(26)30)1317431125(17)167919(27)10816h31327H12H3(H242830)b2013+
MFCD03711197
Oc1ccc(cc1)n1cccc1C=C1C(=O)NC(=S)N(C1=O)c1ccc(c(c1)C)C
ZINC000001101056
ZINC01101056
ZINC1101056
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