Vitas-M small molecule compound
(5Z)-5-(2-chloro-4-ethoxy-5-methoxybenzylidene)-1-(4-fluorophenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK187151
SMILES CCOc1cc(Cl)c(cc1OC)/C=C\1/C(=O)NC(=S)N(C1=O)c1ccc(cc1)F
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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 C20H16ClFN2O4S MW 434.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16ClFN2O4S/c1-3-28-17-10-15(21)11(9-16(17)27-2)8-14-18(25)23-20(29)24(19(14)26)13-6-4-12(22)5-7-13/h4-10H,3H2,1-2H3,(H,23,25,29)/b14-8-InChIKey
JTDVUWAOPJLTMP-ZSOIEALJSA-NSynonyms
(5Z)5((2chloro4ethoxy5methoxyphenyl)methylidene)1(4fluorophenyl)2sulfanylidene13diazinane46dione
(5Z)5(2CHLORO4ETHOXY5METHOXYBENZYLIDENE)1(4FLUOROPHENYL)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
CCOC1=C(C=C(C(=C1)Cl)C=C2C(=O)NC(=S)N(C2=O)C3=CC=C(C=C3)F)OC
CCOc1cc(Cl)c(cc1OC)C=C1C(=O)NC(=S)N(C1=O)c1ccc(cc1)F
InChI=1SC20H16ClFN2O4Sc1328171015(21)11(916(17)272)81418(25)2320(29)24(19(14)26)136412(22)5713h410H3H212H3(H232529)b148
MFCD06665994
ZINC000019877602
ZINC19877602
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