Vitas-M small molecule compound
(5Z)-5-(5-bromo-2,4-diethoxybenzylidene)-1-(3-fluorophenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK187745
SMILES CCOc1cc(OCC)c(cc1/C=C\1/C(=O)NC(=S)N(C1=O)c1cccc(c1)F)Br
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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 C21H18BrFN2O4S MW 493.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18BrFN2O4S/c1-3-28-17-11-18(29-4-2)16(22)9-12(17)8-15-19(26)24-21(30)25(20(15)27)14-7-5-6-13(23)10-14/h5-11H,3-4H2,1-2H3,(H,24,26,30)/b15-8-InChIKey
SXKWVPFAFRMPHP-NVNXTCNLSA-NSynonyms
(5Z)5((5BROMO24DIETHOXYPHENYL)METHYLIDENE)1(3FLUOROPHENYL)2SULFANYLIDENE13DIAZINANE46DIONE
(5Z)5(5BROMO24DIETHOXYBENZYLIDENE)1(3FLUOROPHENYL)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
CCOC1=CC(=C(C=C1C=C2C(=O)NC(=S)N(C2=O)C3=CC(=CC=C3)F)Br)OCC
CCOc1cc(OCC)c(cc1C=C1C(=O)NC(=S)N(C1=O)c1cccc(c1)F)Br
InChI=1SC21H18BrFN2O4Sc1328171118(2942)16(22)912(17)81519(26)2421(30)25(20(15)27)1475613(23)1014h511H34H212H3(H242630)b158
MFCD04307919
ZINC000019877655
ZINC19877655
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