Vitas-M small molecule compound
(5E)-1-(3,5-dimethylphenyl)-5-(3-hydroxy-4-methoxybenzylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK190144
SMILES COc1ccc(cc1O)/C=C/1\C(=O)NC(=S)N(C1=O)c1cc(C)cc(c1)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 C20H18N2O4S MW 382.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N2O4S/c1-11-6-12(2)8-14(7-11)22-19(25)15(18(24)21-20(22)27)9-13-4-5-17(26-3)16(23)10-13/h4-10,23H,1-3H3,(H,21,24,27)/b15-9+InChIKey
LRNLOVHPQMGSQV-OQLLNIDSSA-NSynonyms
(5E)1(35DIMETHYLPHENYL)5((3HYDROXY4METHOXYPHENYL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
(5E)1(35DIMETHYLPHENYL)5(3HYDROXY4METHOXYBENZYLIDENE)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
1(35DIMETHYLPHENYL)5(3HYDROXY4METHOXYBENZYLIDENE)2THIOXODIHYDRO46(1H5H)PYRIMIDINEDIONE
CC1=CC(=CC(=C1)N2C(=O)C(=CC3=CC(=C(C=C3)OC)O)C(=O)NC2=S)C
COc1ccc(cc1O)C=C1C(=O)NC(=S)N(C1=O)c1cc(C)cc(c1)C
InChI=1SC20H18N2O4Sc111612(2)814(711)2219(25)15(18(24)2120(22)27)9134517(263)16(23)1013h41023H13H3(H212427)b159+
MFCD03270066
ZINC000000661053
ZINC00661053
ZINC661053
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