Vitas-M small molecule compound
(5Z)-1-(4-fluorophenyl)-5-[3-methoxy-4-(prop-2-en-1-yloxy)benzylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK191649
SMILES C=CCOc1ccc(cc1OC)/C=C\1/C(=O)NC(=S)N(C1=O)c1ccc(cc1)F
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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 C21H17FN2O4S MW 412.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17FN2O4S/c1-3-10-28-17-9-4-13(12-18(17)27-2)11-16-19(25)23-21(29)24(20(16)26)15-7-5-14(22)6-8-15/h3-9,11-12H,1,10H2,2H3,(H,23,25,29)/b16-11-InChIKey
GQAVPYCPIQLLDS-WJDWOHSUSA-NSynonyms
(5Z)1(4FLUOROPHENYL)5((3METHOXY4PROP2ENOXYPHENYL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
(5Z)1(4FLUOROPHENYL)5(3METHOXY4(PROP2EN1YLOXY)BENZYLIDENE)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
C=CCOc1ccc(cc1OC)C=C1C(=O)NC(=S)N(C1=O)c1ccc(cc1)F
COC1=C(C=CC(=C1)C=C2C(=O)NC(=S)N(C2=O)C3=CC=C(C=C3)F)OCC=C
InChI=1SC21H17FN2O4Sc131028179413(1218(17)272)111619(25)2321(29)24(20(16)26)157514(22)6815h391112H110H22H3(H232529)b1611
MFCD02628784
ZINC000004742281
ZINC04742281
ZINC4742281
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