Vitas-M small molecule compound
(5E)-5-[3-ethoxy-4-hydroxy-5-(prop-2-en-1-yl)benzylidene]-1-(4-ethylphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK191637
SMILES CCOc1cc(/C=C/2\C(=O)NC(=S)N(C2=O)c2ccc(cc2)CC)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 C24H24N2O4S MW 436.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H24N2O4S/c1-4-7-17-12-16(14-20(21(17)27)30-6-3)13-19-22(28)25-24(31)26(23(19)29)18-10-8-15(5-2)9-11-18/h4,8-14,27H,1,5-7H2,2-3H3,(H,25,28,31)/b19-13+InChIKey
JNIJESIKHVXSJI-CPNJWEJPSA-NSynonyms
(5E)5((3ETHOXY4HYDROXY5PROP2ENYLPHENYL)METHYLIDENE)1(4ETHYLPHENYL)2SULFANYLIDENE13DIAZINANE46DIONE
(5E)5(3ETHOXY4HYDROXY5(PROP2EN1YL)BENZYLIDENE)1(4ETHYLPHENYL)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
CCC1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=C(C(=C3)OCC)O)CC=C)C(=O)NC2=S
CCOc1cc(C=C2C(=O)NC(=S)N(C2=O)c2ccc(cc2)CC)cc(c1O)CC=C
InChI=1SC24H24N2O4Sc147171216(1420(21(17)27)3063)131922(28)2524(31)26(23(19)29)1810815(52)91118h481427H157H223H3(H252831)b1913+
MFCD02624532
ZINC000009933310
ZINC09933310
ZINC9933310
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