Vitas-M small molecule compound
(5Z)-1-(4-ethylphenyl)-5-[(1-phenyl-1H-pyrrol-2-yl)methylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK187981
SMILES CCc1ccc(cc1)N1C(=S)NC(=O)/C(=C/c2cccn2c2ccccc2)/C1=O
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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 C23H19N3O2S MW 401.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H19N3O2S/c1-2-16-10-12-18(13-11-16)26-22(28)20(21(27)24-23(26)29)15-19-9-6-14-25(19)17-7-4-3-5-8-17/h3-15H,2H2,1H3,(H,24,27,29)/b20-15-InChIKey
BSXMPOHGOBOKCK-HKWRFOASSA-NSynonyms
(5Z)1(4ETHYLPHENYL)5((1PHENYL1HPYRROL2YL)METHYLIDENE)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
(5Z)1(4ETHYLPHENYL)5((1PHENYLPYRROL2YL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
CCC1=CC=C(C=C1)N2C(=O)C(=CC3=CC=CN3C4=CC=CC=C4)C(=O)NC2=S
CCc1ccc(cc1)N1C(=S)NC(=O)C(=Cc2cccn2c2ccccc2)C1=O
InChI=1SC23H19N3O2Sc1216101218(131116)2622(28)20(21(27)2423(26)29)1519961425(19)177435817h315H2H21H3(H242729)b2015
MFCD04579383
ZINC000004468379
ZINC04468379
ZINC4468379
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