Vitas-M small molecule compound

(5Z)-1-(3-chloro-4-methylphenyl)-5-[4-hydroxy-3-methoxy-5-(prop-2-en-1-yl)benzylidene]pyrimidine-2,4,6(1H,3H,5H)-trione

Catalog ID
STK712550
SMILES C=CCc1cc(/C=C\2/C(=O)NC(=O)N(C2=O)c2ccc(c(c2)Cl)C)cc(c1O)OC

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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 C22H19ClN2O5 MW 426.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19ClN2O5/c1-4-5-14-8-13(10-18(30-3)19(14)26)9-16-20(27)24-22(29)25(21(16)28)15-7-6-12(2)17(23)11-15/h4,6-11,26H,1,5H2,2-3H3,(H,24,27,29)/b16-9-
InChIKey
IPCBVLAHJYVLGK-SXGWCWSVSA-N
Synonyms
799824-31-0
(5Z)1(3CHLORO4METHYLPHENYL)5((4HYDROXY3METHOXY5PROP2ENYLPHENYL)METHYLIDENE)13DIAZINANE246TRIONE
(5Z)1(3chloro4methylphenyl)5(4hydroxy3methoxy5(prop2en1yl)benzylidene)pyrimidine246(1H3H5H)trione
(Z)5(3allyl4hydroxy5methoxybenzylidene)1(3chloro4methylphenyl)pyrimidine246(1H3H5H)trione
799824310
C=CCc1cc(C=C2C(=O)NC(=O)N(C2=O)c2ccc(c(c2)Cl)C)cc(c1O)OC
CC1=C(C=C(C=C1)N2C(=O)C(=CC3=CC(=C(C(=C3)OC)O)CC=C)C(=O)NC2=O)Cl
InChI=1SC22H19ClN2O5c14514813(1018(303)19(14)26)91620(27)2422(29)25(21(16)28)157612(2)17(23)1115h461126H15H223H3(H242729)b169
MFCD03682663
ZINC000009428699
ZINC09428699
ZINC9428699

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Available files

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