Vitas-M small molecule compound
(5Z)-5-[3-methoxy-4-(prop-2-en-1-yloxy)benzylidene]-1-(4-methylphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK197548
SMILES C=CCOc1ccc(cc1OC)/C=C\1/C(=O)NC(=S)N(C1=O)c1ccc(cc1)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 C22H20N2O4S MW 408.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N2O4S/c1-4-11-28-18-10-7-15(13-19(18)27-3)12-17-20(25)23-22(29)24(21(17)26)16-8-5-14(2)6-9-16/h4-10,12-13H,1,11H2,2-3H3,(H,23,25,29)/b17-12-InChIKey
RBRPVGRYLFOCLC-ATVHPVEESA-NSynonyms
(5Z)5((3METHOXY4PROP2ENOXYPHENYL)METHYLIDENE)1(4METHYLPHENYL)2SULFANYLIDENE13DIAZINANE46DIONE
(5Z)5(3METHOXY4(PROP2EN1YLOXY)BENZYLIDENE)1(4METHYLPHENYL)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
C=CCOc1ccc(cc1OC)C=C1C(=O)NC(=S)N(C1=O)c1ccc(cc1)C
CC1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=C(C=C3)OCC=C)OC)C(=O)NC2=S
InChI=1SC22H20N2O4Sc1411281810715(1319(18)273)121720(25)2322(29)24(21(17)26)168514(2)6916h4101213H111H223H3(H232529)b1712
MFCD02628770
ZINC000004739015
ZINC04739015
ZINC4739015
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