Vitas-M small molecule compound
(5Z)-1-[2-chloro-5-(trifluoromethyl)phenyl]-5-(4-ethoxy-3-methoxybenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STL484436
SMILES CCOc1ccc(cc1OC)/C=C\1/C(=O)NC(=O)N(C1=O)c1cc(ccc1Cl)C(F)(F)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 C21H16ClF3N2O5 MW 468.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16ClF3N2O5/c1-3-32-16-7-4-11(9-17(16)31-2)8-13-18(28)26-20(30)27(19(13)29)15-10-12(21(23,24)25)5-6-14(15)22/h4-10H,3H2,1-2H3,(H,26,28,30)/b13-8-InChIKey
CTSDWYUWGCNPSK-JYRVWZFOSA-NSynonyms
(5Z)1(2chloro5(trifluoromethyl)phenyl)5((4ethoxy3methoxyphenyl)methylidene)13diazinane246trione
(5Z)1(2chloro5(trifluoromethyl)phenyl)5(4ethoxy3methoxybenzylidene)pyrimidine246(1H3H5H)trione
CCOC1=C(C=C(C=C1)C=C2C(=O)NC(=O)N(C2=O)C3=C(C=CC(=C3)C(F)(F)F)Cl)OC
CCOc1ccc(cc1OC)C=C1C(=O)NC(=O)N(C1=O)c1cc(ccc1Cl)C(F)(F)F
InChI=1SC21H16ClF3N2O5c1332167411(917(16)312)81318(28)2620(30)27(19(13)29)151012(21(2324)25)5614(15)22h410H3H212H3(H262830)b138
MFCD30713516
ZINC000033414372
ZINC33414372
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