Vitas-M small molecule compound
(5Z)-5-{[5-(3-fluorophenyl)furan-2-yl]methylidene}-1-(4-methoxyphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK192867
SMILES COc1ccc(cc1)N1C(=S)NC(=O)/C(=C/c2ccc(o2)c2cccc(c2)F)/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 C22H15FN2O4S MW 422.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H15FN2O4S/c1-28-16-7-5-15(6-8-16)25-21(27)18(20(26)24-22(25)30)12-17-9-10-19(29-17)13-3-2-4-14(23)11-13/h2-12H,1H3,(H,24,26,30)/b18-12-InChIKey
YDHQXDMMXCJRHG-PDGQHHTCSA-NSynonyms
(5Z)5((5(3fluorophenyl)furan2yl)methylidene)1(4methoxyphenyl)2sulfanylidene13diazinane46dione
(5Z)5((5(3FLUOROPHENYL)FURAN2YL)METHYLIDENE)1(4METHOXYPHENYL)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
COC1=CC=C(C=C1)N2C(=O)C(=CC3=CC=C(O3)C4=CC(=CC=C4)F)C(=O)NC2=S
COc1ccc(cc1)N1C(=S)NC(=O)C(=Cc2ccc(o2)c2cccc(c2)F)C1=O
InChI=1SC22H15FN2O4Sc128167515(6816)2521(27)18(20(26)2422(25)30)121791019(2917)1332414(23)1113h212H1H3(H242630)b1812
MFCD04602515
ZINC000009260353
ZINC09260353
ZINC9260353
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