Vitas-M small molecule compound
(5E)-1-(3-chloro-4-methylphenyl)-5-[4-(morpholin-4-yl)benzylidene]pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STL372392
SMILES O=C1NC(=O)N(C(=O)/C/1=C/c1ccc(cc1)N1CCOCC1)c1ccc(c(c1)Cl)C
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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 C22H20ClN3O4 MW 425.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20ClN3O4/c1-14-2-5-17(13-19(14)23)26-21(28)18(20(27)24-22(26)29)12-15-3-6-16(7-4-15)25-8-10-30-11-9-25/h2-7,12-13H,8-11H2,1H3,(H,24,27,29)/b18-12+InChIKey
JPOMMPHQQTZSHS-LDADJPATSA-NSynonyms
(5E)1(3CHLORO4METHYLPHENYL)5((4MORPHOLIN4YLPHENYL)METHYLIDENE)13DIAZINANE246TRIONE
(5E)1(3chloro4methylphenyl)5(4(morpholin4yl)benzylidene)pyrimidine246(1H3H5H)trione
CC1=C(C=C(C=C1)N2C(=O)C(=CC3=CC=C(C=C3)N4CCOCC4)C(=O)NC2=O)Cl
InChI=1SC22H20ClN3O4c1142517(1319(14)23)2621(28)18(20(27)2422(26)29)12153616(7415)258103011925h271213H811H21H3(H242729)b1812+
MFCD03214359
O=C1NC(=O)N(C(=O)C1=Cc1ccc(cc1)N1CCOCC1)c1ccc(c(c1)Cl)C
ZINC000001153323
ZINC01153323
ZINC1153323
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