Vitas-M small molecule compound
(5E)-5-{4-[3-(3,4-dimethylphenoxy)propoxy]-3-methoxybenzylidene}-3-(furan-2-ylmethyl)-6-hydroxypyrimidine-2,4(3H,5H)-dione
Catalog ID
STK629829
SMILES COc1cc(ccc1OCCCOc1ccc(c(c1)C)C)/C=C/1\C(=NC(=O)N(C1=O)Cc1ccco1)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 C28H28N2O7 MW 504.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28N2O7/c1-18-7-9-21(14-19(18)2)35-12-5-13-37-24-10-8-20(16-25(24)34-3)15-23-26(31)29-28(33)30(27(23)32)17-22-6-4-11-36-22/h4,6-11,14-16H,5,12-13,17H2,1-3H3,(H,29,31,33)/b23-15+InChIKey
NGBPLXIEXQEMGU-HZHRSRAPSA-NSynonyms
(5E)5((4(3(34DIMETHYLPHENOXY)PROPOXY)3METHOXYPHENYL)METHYLIDENE)1(FURAN2YLMETHYL)13DIAZINANE246TRIONE
(5E)5(4(3(34dimethylphenoxy)propoxy)3methoxybenzylidene)3(furan2ylmethyl)6hydroxypyrimidine24(3H5H)dione
COc1cc(ccc1OCCCOc1ccc(c(c1)C)C)C=C1C(=NC(=O)N(C1=O)Cc1ccco1)O
InChI=1SC28H28N2O7c1187921(1419(18)2)3512513372410820(1625(24)343)152326(31)2928(33)30(27(23)32)172264113622h46111416H5121317H213H3(H293133)b2315+
MFCD09790793
ZINC000013552498
ZINC13552498
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