Vitas-M small molecule compound

(5E)-1-[2-(4-fluorophenyl)ethyl]-2-hydroxy-5-(2,3,4-trimethoxybenzylidene)pyrimidine-4,6(1H,5H)-dione

Catalog ID
STK562726
SMILES COc1c(ccc(c1OC)OC)/C=C/1\C(=O)N=C(N(C1=O)CCc1ccc(cc1)F)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 C22H21FN2O6 MW 428.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21FN2O6/c1-29-17-9-6-14(18(30-2)19(17)31-3)12-16-20(26)24-22(28)25(21(16)27)11-10-13-4-7-15(23)8-5-13/h4-9,12H,10-11H2,1-3H3,(H,24,26,28)/b16-12+
InChIKey
JKOJUUGCBOAGBC-FOWTUZBSSA-N
Synonyms
374095-91-7
(5E)1(2(4fluorophenyl)ethyl)2hydroxy5(234trimethoxybenzylidene)pyrimidine46(1H5H)dione
(5E)1(2(4FLUOROPHENYL)ETHYL)5((234TRIMETHOXYPHENYL)METHYLIDENE)13DIAZINANE246TRIONE
374095917
COC1=C(C(=C(C=C1)C=C2C(=O)NC(=O)N(C2=O)CCC3=CC=C(C=C3)F)OC)OC
COc1c(ccc(c1OC)OC)C=C1C(=O)N=C(N(C1=O)CCc1ccc(cc1)F)O
InChI=1SC22H21FN2O6c129179614(18(302)19(17)313)121620(26)2422(28)25(21(16)27)1110134715(23)8513h4912H1011H213H3(H242628)b1612+
MFCD03808456
ZINC000013774307
ZINC13774307

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Available files

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