Vitas-M small molecule compound

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

Catalog ID
STK037488
SMILES CCOc1cc(ccc1OCC)/C=C/1\C(=O)NC(=S)N(C1=O)c1ccccc1F

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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/c1-3-27-17-10-9-13(12-18(17)28-4-2)11-14-19(25)23-21(29)24(20(14)26)16-8-6-5-7-15(16)22/h5-12H,3-4H2,1-2H3,(H,23,25,29)/b14-11+
InChIKey
MZHGNVIMDHHLCS-SDNWHVSQSA-N
Synonyms

(5E)5((34DIETHOXYPHENYL)METHYLIDENE)1(2FLUOROPHENYL)2SULFANYLIDENE13DIAZINANE46DIONE
(5E)5(34DIETHOXYBENZYLIDENE)1(2FLUOROPHENYL)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
CCOC1=C(C=C(C=C1)C=C2C(=O)NC(=S)N(C2=O)C3=CC=CC=C3F)OCC
CCOc1cc(ccc1OCC)C=C1C(=O)NC(=S)N(C1=O)c1ccccc1F
InChI=1SC21H19FN2O4Sc13271710913(1218(17)2842)111419(25)2321(29)24(20(14)26)16865715(16)22h512H34H212H3(H232529)b1411+
MFCD02777316
STK037488
ZINC000004616074
ZINC04616074
ZINC4616074

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Available files

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