Vitas-M small molecule compound
(5E)-5-[4-(benzyloxy)-3-methoxybenzylidene]-1-(2,5-dimethoxyphenyl)-2-hydroxypyrimidine-4,6(1H,5H)-dione
Catalog ID
STL046806
SMILES COc1ccc(c(c1)N1C(=NC(=O)/C(=C\c2ccc(c(c2)OC)OCc2ccccc2)/C1=O)O)OC
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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 C27H24N2O7 MW 488.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H24N2O7/c1-33-19-10-12-22(34-2)21(15-19)29-26(31)20(25(30)28-27(29)32)13-18-9-11-23(24(14-18)35-3)36-16-17-7-5-4-6-8-17/h4-15H,16H2,1-3H3,(H,28,30,32)/b20-13+InChIKey
KMGCIMCDYCWRNU-DEDYPNTBSA-NSynonyms
372970-95-1(5E)1(25DIMETHOXYPHENYL)5((3METHOXY4PHENYLMETHOXYPHENYL)METHYLIDENE)13DIAZINANE246TRIONE
(5E)5(4(benzyloxy)3methoxybenzylidene)1(25dimethoxyphenyl)2hydroxypyrimidine46(1H5H)dione
372970951
COC1=CC(=C(C=C1)OC)N2C(=O)C(=CC3=CC(=C(C=C3)OCC4=CC=CC=C4)OC)C(=O)NC2=O
COc1ccc(c(c1)N1C(=NC(=O)C(=Cc2ccc(c(c2)OC)OCc2ccccc2)C1=O)O)OC
InChI=1SC27H24N2O7c13319101222(342)21(1519)2926(31)20(25(30)2827(29)32)131891123(24(1418)353)3616177546817h415H16H213H3(H283032)b2013+
MFCD03800746
ZINC000001302988
ZINC1302988
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