Vitas-M small molecule compound
(5E)-5-[4-(azepan-1-yl)benzylidene]-6-hydroxy-3-(4-methoxyphenyl)pyrimidine-2,4(3H,5H)-dione
Catalog ID
STK569455
SMILES COc1ccc(cc1)N1C(=O)N=C(/C(=C\c2ccc(cc2)N2CCCCCC2)/C1=O)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 C24H25N3O4 MW 419.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H25N3O4/c1-31-20-12-10-19(11-13-20)27-23(29)21(22(28)25-24(27)30)16-17-6-8-18(9-7-17)26-14-4-2-3-5-15-26/h6-13,16H,2-5,14-15H2,1H3,(H,25,28,30)/b21-16+InChIKey
MLJLFIRSOPLKGV-LTGZKZEYSA-NSynonyms
713127-18-5(5E)5((4(AZEPAN1YL)PHENYL)METHYLIDENE)1(4METHOXYPHENYL)13DIAZINANE246TRIONE
(5E)5(4(azepan1yl)benzylidene)6hydroxy3(4methoxyphenyl)pyrimidine24(3H5H)dione
713127185
COC1=CC=C(C=C1)N2C(=O)C(=CC3=CC=C(C=C3)N4CCCCCC4)C(=O)NC2=O
COc1ccc(cc1)N1C(=O)N=C(C(=Cc2ccc(cc2)N2CCCCCC2)C1=O)O
InChI=1SC24H25N3O4c13120121019(111320)2723(29)21(22(28)2524(27)30)16176818(9717)261442351526h61316H251415H21H3(H252830)b2116+
MFCD05726984
ZINC000005516439
ZINC5516439
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