Vitas-M small molecule compound
(5E)-5-{4-[(3-fluorobenzyl)oxy]-3-methoxybenzylidene}-1-(4-methoxyphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK056876
SMILES COc1ccc(cc1)N1C(=S)NC(=O)/C(=C\c2ccc(c(c2)OC)OCc2cccc(c2)F)/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 C26H21FN2O5S MW 492.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H21FN2O5S/c1-32-20-9-7-19(8-10-20)29-25(31)21(24(30)28-26(29)35)13-16-6-11-22(23(14-16)33-2)34-15-17-4-3-5-18(27)12-17/h3-14H,15H2,1-2H3,(H,28,30,35)/b21-13+InChIKey
KNINGLIMXHYIHF-FYJGNVAPSA-NSynonyms
(5E)5((4((3FLUOROPHENYL)METHOXY)3METHOXYPHENYL)METHYLIDENE)1(4METHOXYPHENYL)2SULFANYLIDENE13DIAZINANE46DIONE
(5E)5(4((3FLUOROBENZYL)OXY)3METHOXYBENZYLIDENE)1(4METHOXYPHENYL)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
COC1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=C(C=C3)OCC4=CC(=CC=C4)F)OC)C(=O)NC2=S
COc1ccc(cc1)N1C(=S)NC(=O)C(=Cc2ccc(c(c2)OC)OCc2cccc(c2)F)C1=O
InChI=1SC26H21FN2O5Sc132209719(81020)2925(31)21(24(30)2826(29)35)131661122(23(1416)332)34151743518(27)1217h314H15H212H3(H283035)b2113+
MFCD02195230
STK056876
ZINC000009514106
ZINC09514106
ZINC9514106
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