Vitas-M small molecule compound
(5Z)-5-{4-[(2-fluorobenzyl)oxy]benzylidene}-1-(prop-2-en-1-yl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK191628
SMILES C=CCN1C(=S)NC(=O)/C(=C/c2ccc(cc2)OCc2ccccc2F)/C1=O
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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 C21H17FN2O3S MW 396.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17FN2O3S/c1-2-11-24-20(26)17(19(25)23-21(24)28)12-14-7-9-16(10-8-14)27-13-15-5-3-4-6-18(15)22/h2-10,12H,1,11,13H2,(H,23,25,28)/b17-12-InChIKey
IQBHCPVZXIZPOO-ATVHPVEESA-NSynonyms
5972-00-9(5Z)5((4((2FLUOROPHENYL)METHOXY)PHENYL)METHYLIDENE)1PROP2ENYL2SULFANYLIDENE13DIAZINANE46DIONE
(5Z)5(4((2FLUOROBENZYL)OXY)BENZYLIDENE)1(PROP2EN1YL)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
5972009
C=CCN1C(=O)C(=CC2=CC=C(C=C2)OCC3=CC=CC=C3F)C(=O)NC1=S
C=CCN1C(=S)NC(=O)C(=Cc2ccc(cc2)OCc2ccccc2F)C1=O
InChI=1SC21H17FN2O3Sc12112420(26)17(19(25)2321(24)28)12147916(10814)271315534618(15)22h21012H11113H2(H232528)b1712
MFCD02212685
ZINC000004742218
ZINC04742218
ZINC4742218
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