Vitas-M small molecule compound
(5E)-5-[(1-benzyl-1,2,3,4-tetrahydroquinolin-6-yl)methylidene]-6-hydroxy-3-(4-methoxybenzyl)pyrimidine-2,4(3H,5H)-dione
Catalog ID
STK590539
SMILES COc1ccc(cc1)CN1C(=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 C29H27N3O4 MW 481.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H27N3O4/c1-36-24-12-9-21(10-13-24)19-32-28(34)25(27(33)30-29(32)35)17-22-11-14-26-23(16-22)8-5-15-31(26)18-20-6-3-2-4-7-20/h2-4,6-7,9-14,16-17H,5,8,15,18-19H2,1H3,(H,30,33,35)/b25-17+InChIKey
DKGROZPCUUFPHV-KOEQRZSOSA-NSynonyms
842972-48-9(5E)5((1benzyl1234tetrahydroquinolin6yl)methylidene)6hydroxy3(4methoxybenzyl)pyrimidine24(3H5H)dione
(5E)5((1BENZYL34DIHYDRO2HQUINOLIN6YL)METHYLIDENE)1((4METHOXYPHENYL)METHYL)13DIAZINANE246TRIONE
842972489
COC1=CC=C(C=C1)CN2C(=O)C(=CC3=CC4=C(C=C3)N(CCC4)CC5=CC=CC=C5)C(=O)NC2=O
COc1ccc(cc1)CN1C(=O)N=C(C(=Cc2ccc3c(c2)CCCN3Cc2ccccc2)C1=O)O
InChI=1SC29H27N3O4c1362412921(101324)193228(34)25(27(33)3029(32)35)172211142623(1622)851531(26)18206324720h24679141617H58151819H21H3(H303335)b2517+
MFCD07206904
ZINC000009090018
ZINC9090018
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