Vitas-M small molecule compound
(5E)-1-(2,4-dimethylphenyl)-2-thioxo-5-(3,4,5-trimethoxybenzylidene)dihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK189493
SMILES COc1c(OC)cc(cc1OC)/C=C/1\C(=O)NC(=S)N(C1=O)c1ccc(cc1C)C
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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 C22H22N2O5S MW 426.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N2O5S/c1-12-6-7-16(13(2)8-12)24-21(26)15(20(25)23-22(24)30)9-14-10-17(27-3)19(29-5)18(11-14)28-4/h6-11H,1-5H3,(H,23,25,30)/b15-9+InChIKey
GWYCMJBNFVELQW-OQLLNIDSSA-NSynonyms
(5E)1(24DIMETHYLPHENYL)2SULFANYLIDENE5((345TRIMETHOXYPHENYL)METHYLIDENE)13DIAZINANE46DIONE
(5E)1(24DIMETHYLPHENYL)2THIOXO5(345TRIMETHOXYBENZYLIDENE)DIHYDROPYRIMIDINE46(1H5H)DIONE
1(24DIMETHYLPHENYL)2THIOXO5(345TRIMETHOXYBENZYLIDENE)DIHYDRO46(1H5H)PYRIMIDINEDIONE
CC1=CC(=C(C=C1)N2C(=O)C(=CC3=CC(=C(C(=C3)OC)OC)OC)C(=O)NC2=S)C
COc1c(OC)cc(cc1OC)C=C1C(=O)NC(=S)N(C1=O)c1ccc(cc1C)C
InChI=1SC22H22N2O5Sc1126716(13(2)812)2421(26)15(20(25)2322(24)30)9141017(273)19(295)18(1114)284h611H15H3(H232530)b159+
MFCD03923478
ZINC000000664557
ZINC00664557
ZINC664557
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