Vitas-M small molecule compound
(5E)-5-[(1-benzyl-1,2,3,4-tetrahydroquinolin-6-yl)methylidene]-6-hydroxy-3-(4-iodophenyl)pyrimidine-2,4(3H,5H)-dione
Catalog ID
STK582347
SMILES Ic1ccc(cc1)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 C27H22IN3O3 MW 563.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22IN3O3/c28-21-9-11-22(12-10-21)31-26(33)23(25(32)29-27(31)34)16-19-8-13-24-20(15-19)7-4-14-30(24)17-18-5-2-1-3-6-18/h1-3,5-6,8-13,15-16H,4,7,14,17H2,(H,29,32,34)/b23-16+InChIKey
QIPZWEIHGHRGSG-XQNSMLJCSA-NSynonyms
(5E)5((1benzyl1234tetrahydroquinolin6yl)methylidene)6hydroxy3(4iodophenyl)pyrimidine24(3H5H)dione
(5E)5((1benzyl34dihydro2Hquinolin6yl)methylidene)1(4iodophenyl)13diazinane246trione
C1CC2=C(C=CC(=C2)C=C3C(=O)NC(=O)N(C3=O)C4=CC=C(C=C4)I)N(C1)CC5=CC=CC=C5
Ic1ccc(cc1)N1C(=O)N=C(C(=Cc2ccc3c(c2)CCCN3Cc2ccccc2)C1=O)O
InChI=1SC27H22IN3O3c282191122(121021)3126(33)23(25(32)2927(31)34)16198132420(1519)741430(24)17185213618h13568131516H471417H2(H293234)b2316+
MFCD07201384
ZINC000097968037
ZINC97968037
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