Vitas-M small molecule compound
(5E)-5-{3-ethoxy-4-[(2-fluorobenzyl)oxy]benzylidene}-1-(prop-2-en-1-yl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK190178
SMILES C=CCN1C(=S)NC(=O)/C(=C\c2ccc(c(c2)OCC)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 C23H21FN2O4S MW 440.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21FN2O4S/c1-3-11-26-22(28)17(21(27)25-23(26)31)12-15-9-10-19(20(13-15)29-4-2)30-14-16-7-5-6-8-18(16)24/h3,5-10,12-13H,1,4,11,14H2,2H3,(H,25,27,31)/b17-12+InChIKey
HKFPDMWXDVWUAD-SFQUDFHCSA-NSynonyms
(5E)5((3ethoxy4((2fluorophenyl)methoxy)phenyl)methylidene)1prop2enyl2sulfanylidene13diazinane46dione
(5E)5(3ETHOXY4((2FLUOROBENZYL)OXY)BENZYLIDENE)1(PROP2EN1YL)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
C=CCN1C(=S)NC(=O)C(=Cc2ccc(c(c2)OCC)OCc2ccccc2F)C1=O
CCOC1=C(C=CC(=C1)C=C2C(=O)NC(=S)N(C2=O)CC=C)OCC3=CC=CC=C3F
InChI=1SC23H21FN2O4Sc13112622(28)17(21(27)2523(26)31)121591019(20(1315)2942)301416756818(16)24h35101213H141114H22H3(H252731)b1712+
MFCD03699166
ZINC000009260149
ZINC09260149
ZINC9260149
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