Vitas-M small molecule compound
(5E)-5-[(1-benzyl-1,2,3,4-tetrahydroquinolin-6-yl)methylidene]-3-hexyl-6-hydroxypyrimidine-2,4(3H,5H)-dione
Catalog ID
STK596298
SMILES CCCCCCN1C(=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 C27H31N3O3 MW 445.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H31N3O3/c1-2-3-4-8-16-30-26(32)23(25(31)28-27(30)33)18-21-13-14-24-22(17-21)12-9-15-29(24)19-20-10-6-5-7-11-20/h5-7,10-11,13-14,17-18H,2-4,8-9,12,15-16,19H2,1H3,(H,28,31,33)/b23-18+InChIKey
UWYXHSPTCDBBGW-PTGBLXJZSA-NSynonyms
843626-56-2(5E)5((1benzyl1234tetrahydroquinolin6yl)methylidene)3hexyl6hydroxypyrimidine24(3H5H)dione
(5E)5((1benzyl34dihydro2Hquinolin6yl)methylidene)1hexyl13diazinane246trione
843626562
CCCCCCN1C(=O)C(=CC2=CC3=C(C=C2)N(CCC3)CC4=CC=CC=C4)C(=O)NC1=O
CCCCCCN1C(=O)N=C(C(=Cc2ccc3c(c2)CCCN3Cc2ccccc2)C1=O)O
InChI=1SC27H31N3O3c12348163026(32)23(25(31)2827(30)33)182113142422(1721)1291529(24)1920106571120h57101113141718H248912151619H21H3(H283133)b2318+
MFCD07205019
ZINC000009471600
ZINC09471600
ZINC9471600
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