Vitas-M small molecule compound
(5E)-5-{4-[(3,4-dichlorobenzyl)oxy]-3-methoxybenzylidene}-1-(4-methoxyphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK059441
SMILES COc1ccc(cc1)N1C(=S)NC(=O)/C(=C\c2ccc(c(c2)OC)OCc2ccc(c(c2)Cl)Cl)/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 C26H20Cl2N2O5S MW 543.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H20Cl2N2O5S/c1-33-18-7-5-17(6-8-18)30-25(32)19(24(31)29-26(30)36)11-15-4-10-22(23(13-15)34-2)35-14-16-3-9-20(27)21(28)12-16/h3-13H,14H2,1-2H3,(H,29,31,36)/b19-11+InChIKey
GOFZWLGZXKGSEZ-YBFXNURJSA-NSynonyms
(5E)5((4((34dichlorophenyl)methoxy)3methoxyphenyl)methylidene)1(4methoxyphenyl)2sulfanylidene13diazinane46dione
(5E)5(4((34DICHLOROBENZYL)OXY)3METHOXYBENZYLIDENE)1(4METHOXYPHENYL)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
COC1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=C(C=C3)OCC4=CC(=C(C=C4)Cl)Cl)OC)C(=O)NC2=S
COc1ccc(cc1)N1C(=S)NC(=O)C(=Cc2ccc(c(c2)OC)OCc2ccc(c(c2)Cl)Cl)C1=O
InChI=1SC26H20Cl2N2O5Sc133187517(6818)3025(32)19(24(31)2926(30)36)111541022(23(1315)342)3514163920(27)21(28)1216h313H14H212H3(H293136)b1911+
MFCD02194803
STK059441
ZINC000097960815
ZINC97960815
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