Vitas-M small molecule compound
5-{2-[(2,4-dichlorobenzyl)oxy]-4-(diethylamino)benzylidene}-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK374625
SMILES CCN(c1ccc(c(c1)OCc1ccc(cc1Cl)Cl)C=C1C(=O)NC(=S)NC1=O)CC
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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 C22H21Cl2N3O3S MW 478.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21Cl2N3O3S/c1-3-27(4-2)16-8-6-13(9-17-20(28)25-22(31)26-21(17)29)19(11-16)30-12-14-5-7-15(23)10-18(14)24/h5-11H,3-4,12H2,1-2H3,(H2,25,26,28,29,31)InChIKey
NHWJRVFECDXKMK-UHFFFAOYSA-NSynonyms
5((2((24DICHLOROPHENYL)METHOXY)4(DIETHYLAMINO)PHENYL)METHYLENE)2THIOXO13DIHYDROPYRIMIDINE46DIONE
5((2((24DICHLOROPHENYL)METHOXY)4(DIETHYLAMINO)PHENYL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
5(2((24dichlorobenzyl)oxy)4(diethylamino)benzylidene)2thioxodihydropyrimidine46(1H5H)dione
CCN(CC)C1=CC(=C(C=C1)C=C2C(=O)NC(=S)NC2=O)OCC3=C(C=C(C=C3)Cl)Cl
InChI=1SC22H21Cl2N3O3Sc1327(42)168613(91720(28)2522(31)2621(17)29)19(1116)3012145715(23)1018(14)24h511H3412H212H3(H22526282931)
MFCD00809512
ZINC000000727030
ZINC00727030
ZINC727030
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