Vitas-M small molecule compound
(5E)-5-{[5-(2-bromo-4-methylphenyl)furan-2-yl]methylidene}-1-(4-methylphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STL374183
SMILES Cc1ccc(cc1)N1C(=S)NC(=O)/C(=C\c2ccc(o2)c2ccc(cc2Br)C)/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 C23H17BrN2O3S MW 481.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H17BrN2O3S/c1-13-3-6-15(7-4-13)26-22(28)18(21(27)25-23(26)30)12-16-8-10-20(29-16)17-9-5-14(2)11-19(17)24/h3-12H,1-2H3,(H,25,27,30)/b18-12+InChIKey
HTSIAYXJPZYSEK-LDADJPATSA-NSynonyms
(5E)5((5(2BROMO4METHYLPHENYL)FURAN2YL)METHYLIDENE)1(4METHYLPHENYL)2SULFANYLIDENE13DIAZINANE46DIONE
(5E)5((5(2bromo4methylphenyl)furan2yl)methylidene)1(4methylphenyl)2thioxodihydropyrimidine46(1H5H)dione
CC1=CC=C(C=C1)N2C(=O)C(=CC3=CC=C(O3)C4=C(C=C(C=C4)C)Br)C(=O)NC2=S
Cc1ccc(cc1)N1C(=S)NC(=O)C(=Cc2ccc(o2)c2ccc(cc2Br)C)C1=O
InChI=1SC23H17BrN2O3Sc1133615(7413)2622(28)18(21(27)2523(26)30)121681020(2916)179514(2)1119(17)24h312H12H3(H252730)b1812+
MFCD01829526
ZINC000009295815
ZINC09295815
ZINC9295815
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