Vitas-M small molecule compound
(5Z)-5-(2,4-diethoxybenzylidene)-1-(2-fluorophenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK197552
SMILES CCOc1cc(OCC)ccc1/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/c1-3-27-14-10-9-13(18(12-14)28-4-2)11-15-19(25)23-21(29)24(20(15)26)17-8-6-5-7-16(17)22/h5-12H,3-4H2,1-2H3,(H,23,25,29)/b15-11-InChIKey
YJVQKEMSDAKAHB-PTNGSMBKSA-NSynonyms
(5Z)5((24DIETHOXYPHENYL)METHYLIDENE)1(2FLUOROPHENYL)2SULFANYLIDENE13DIAZINANE46DIONE
(5Z)5(24DIETHOXYBENZYLIDENE)1(2FLUOROPHENYL)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
CCOC1=CC(=C(C=C1)C=C2C(=O)NC(=S)N(C2=O)C3=CC=CC=C3F)OCC
CCOc1cc(OCC)ccc1C=C1C(=O)NC(=S)N(C1=O)c1ccccc1F
InChI=1SC21H19FN2O4Sc13271410913(18(1214)2842)111519(25)2321(29)24(20(15)26)17865716(17)22h512H34H212H3(H232529)b1511
MFCD02624100
ZINC000012363820
ZINC12363820
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