Vitas-M small molecule compound

(5E)-5-(3,4-diethoxybenzylidene)-1-(3-fluorophenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione

Catalog ID
STK187335
SMILES CCOc1cc(ccc1OCC)/C=C/1\C(=O)NC(=S)N(C1=O)c1cccc(c1)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 C21H19FN2O4S MW 414.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19FN2O4S/c1-3-27-17-9-8-13(11-18(17)28-4-2)10-16-19(25)23-21(29)24(20(16)26)15-7-5-6-14(22)12-15/h5-12H,3-4H2,1-2H3,(H,23,25,29)/b16-10+
InChIKey
CKCCXPJKLHHNDV-MHWRWJLKSA-N
Synonyms

(5E)5((34DIETHOXYPHENYL)METHYLIDENE)1(3FLUOROPHENYL)2SULFANYLIDENE13DIAZINANE46DIONE
(5E)5(34DIETHOXYBENZYLIDENE)1(3FLUOROPHENYL)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
CCOC1=C(C=C(C=C1)C=C2C(=O)NC(=S)N(C2=O)C3=CC(=CC=C3)F)OCC
CCOc1cc(ccc1OCC)C=C1C(=O)NC(=S)N(C1=O)c1cccc(c1)F
InChI=1SC21H19FN2O4Sc1327179813(1118(17)2842)101619(25)2321(29)24(20(16)26)1575614(22)1215h512H34H212H3(H232529)b1610+
MFCD03729735
ZINC000004723773
ZINC04723773
ZINC4723773

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Available files

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