Vitas-M small molecule compound
(5E)-5-[3-ethoxy-4-hydroxy-5-(prop-2-en-1-yl)benzylidene]-1-(2-methylphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK197546
SMILES CCOc1cc(/C=C/2\C(=O)NC(=S)N(C2=O)c2ccccc2C)cc(c1O)CC=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 C23H22N2O4S MW 422.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N2O4S/c1-4-8-16-11-15(13-19(20(16)26)29-5-2)12-17-21(27)24-23(30)25(22(17)28)18-10-7-6-9-14(18)3/h4,6-7,9-13,26H,1,5,8H2,2-3H3,(H,24,27,30)/b17-12+InChIKey
HHVVELBZEUAWBK-SFQUDFHCSA-NSynonyms
(5E)5((3ETHOXY4HYDROXY5PROP2ENYLPHENYL)METHYLIDENE)1(2METHYLPHENYL)2SULFANYLIDENE13DIAZINANE46DIONE
(5E)5(3ETHOXY4HYDROXY5(PROP2EN1YL)BENZYLIDENE)1(2METHYLPHENYL)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
CCOC1=CC(=CC(=C1O)CC=C)C=C2C(=O)NC(=S)N(C2=O)C3=CC=CC=C3C
CCOc1cc(C=C2C(=O)NC(=S)N(C2=O)c2ccccc2C)cc(c1O)CC=C
InChI=1SC23H22N2O4Sc148161115(1319(20(16)26)2952)121721(27)2423(30)25(22(17)28)181076914(18)3h46791326H158H223H3(H242730)b1712+
MFCD02624491
ZINC000002982526
ZINC02982526
ZINC2982526
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