Vitas-M small molecule compound
(5E)-5-[(1-benzyl-1,2,3,4-tetrahydroquinolin-6-yl)methylidene]-6-hydroxy-3-(3-methoxyphenyl)pyrimidine-2,4(3H,5H)-dione
Catalog ID
STK570210
SMILES COc1cccc(c1)N1C(=O)N=C(/C(=C\c2ccc3c(c2)CCCN3Cc2ccccc2)/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 C28H25N3O4 MW 467.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25N3O4/c1-35-23-11-5-10-22(17-23)31-27(33)24(26(32)29-28(31)34)16-20-12-13-25-21(15-20)9-6-14-30(25)18-19-7-3-2-4-8-19/h2-5,7-8,10-13,15-17H,6,9,14,18H2,1H3,(H,29,32,34)/b24-16+InChIKey
XVELNLMEGYMYPZ-LFVJCYFKSA-NSynonyms
843628-07-9(5E)5((1benzyl1234tetrahydroquinolin6yl)methylidene)6hydroxy3(3methoxyphenyl)pyrimidine24(3H5H)dione
(5E)5((1BENZYL34DIHYDRO2HQUINOLIN6YL)METHYLIDENE)1(3METHOXYPHENYL)13DIAZINANE246TRIONE
843628079
COC1=CC=CC(=C1)N2C(=O)C(=CC3=CC4=C(C=C3)N(CCC4)CC5=CC=CC=C5)C(=O)NC2=O
COc1cccc(c1)N1C(=O)N=C(C(=Cc2ccc3c(c2)CCCN3Cc2ccccc2)C1=O)O
InChI=1SC28H25N3O4c135231151022(1723)3127(33)24(26(32)2928(31)34)162012132521(1520)961430(25)18197324819h257810131517H691418H21H3(H293234)b2416+
MFCD07205323
ZINC000009471603
ZINC9471603
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