Vitas-M small molecule compound
(5E)-5-[(1-benzyl-1,2,3,4-tetrahydroquinolin-6-yl)methylidene]-3-butyl-6-hydroxypyrimidine-2,4(3H,5H)-dione
Catalog ID
STK578074
SMILES CCCCN1C(=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 C25H27N3O3 MW 417.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27N3O3/c1-2-3-14-28-24(30)21(23(29)26-25(28)31)16-19-11-12-22-20(15-19)10-7-13-27(22)17-18-8-5-4-6-9-18/h4-6,8-9,11-12,15-16H,2-3,7,10,13-14,17H2,1H3,(H,26,29,31)/b21-16+InChIKey
WSIMACRLKNRRHT-LTGZKZEYSA-NSynonyms
586991-53-9(5E)5((1benzyl1234tetrahydroquinolin6yl)methylidene)3butyl6hydroxypyrimidine24(3H5H)dione
(5E)5((1BENZYL34DIHYDRO2HQUINOLIN6YL)METHYLIDENE)1BUTYL13DIAZINANE246TRIONE
586991539
CCCCN1C(=O)C(=CC2=CC3=C(C=C2)N(CCC3)CC4=CC=CC=C4)C(=O)NC1=O
CCCCN1C(=O)N=C(C(=Cc2ccc3c(c2)CCCN3Cc2ccccc2)C1=O)O
InChI=1SC25H27N3O3c123142824(30)21(23(29)2625(28)31)161911122220(1519)1071327(22)17188546918h468911121516H23710131417H21H3(H262931)b2116+
MFCD07207798
ZINC000009012026
ZINC09012026
ZINC9012026
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