Vitas-M small molecule compound
(5E)-5-{4-[(4-chlorobenzyl)oxy]-3-methoxybenzylidene}-1-(4-methoxyphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK197653
SMILES COc1ccc(cc1)N1C(=S)NC(=O)/C(=C\c2ccc(c(c2)OC)OCc2ccc(cc2)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 C26H21ClN2O5S MW 508.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H21ClN2O5S/c1-32-20-10-8-19(9-11-20)29-25(31)21(24(30)28-26(29)35)13-17-5-12-22(23(14-17)33-2)34-15-16-3-6-18(27)7-4-16/h3-14H,15H2,1-2H3,(H,28,30,35)/b21-13+InChIKey
DTCRNDWLYDYUHP-FYJGNVAPSA-NSynonyms
(5E)5((4((4chlorophenyl)methoxy)3methoxyphenyl)methylidene)1(4methoxyphenyl)2sulfanylidene13diazinane46dione
(5E)5(4((4CHLOROBENZYL)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)OC)C(=O)NC2=S
COc1ccc(cc1)N1C(=S)NC(=O)C(=Cc2ccc(c(c2)OC)OCc2ccc(cc2)Cl)C1=O
InChI=1SC26H21ClN2O5Sc1322010819(91120)2925(31)21(24(30)2826(29)35)131751222(23(1417)332)3415163618(27)7416h314H15H212H3(H283035)b2113+
MFCD02085122
ZINC000009310980
ZINC09310980
ZINC9310980
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