Vitas-M small molecule compound
(5Z)-1-(3,5-dimethylphenyl)-5-[3-ethoxy-4-hydroxy-5-(prop-2-en-1-yl)benzylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK191671
SMILES CCOc1cc(/C=C\2/C(=O)NC(=S)N(C2=O)c2cc(C)cc(c2)C)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/c1-5-7-17-11-16(13-20(21(17)27)30-6-2)12-19-22(28)25-24(31)26(23(19)29)18-9-14(3)8-15(4)10-18/h5,8-13,27H,1,6-7H2,2-4H3,(H,25,28,31)/b19-12-InChIKey
AKFFMMIRCNIZJL-UNOMPAQXSA-NSynonyms
(5Z)1(35DIMETHYLPHENYL)5((3ETHOXY4HYDROXY5PROP2ENYLPHENYL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
(5Z)1(35DIMETHYLPHENYL)5(3ETHOXY4HYDROXY5(PROP2EN1YL)BENZYLIDENE)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
CCOC1=CC(=CC(=C1O)CC=C)C=C2C(=O)NC(=S)N(C2=O)C3=CC(=CC(=C3)C)C
CCOc1cc(C=C2C(=O)NC(=S)N(C2=O)c2cc(C)cc(c2)C)cc(c1O)CC=C
InChI=1SC24H24N2O4Sc157171116(1320(21(17)27)3062)121922(28)2524(31)26(23(19)29)18914(3)815(4)1018h581327H167H224H3(H252831)b1912
MFCD02904911
ZINC000001170262
ZINC01170262
ZINC1170262
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