Vitas-M small molecule compound
methyl (4-{(E)-[1-(4-ethoxyphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2-methoxyphenoxy)acetate
Catalog ID
STK191790
SMILES CCOc1ccc(cc1)N1C(=S)NC(=O)/C(=C\c2ccc(c(c2)OC)OCC(=O)OC)/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 C23H22N2O7S MW 470.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N2O7S/c1-4-31-16-8-6-15(7-9-16)25-22(28)17(21(27)24-23(25)33)11-14-5-10-18(19(12-14)29-2)32-13-20(26)30-3/h5-12H,4,13H2,1-3H3,(H,24,27,33)/b17-11+InChIKey
UCJQNOVEEMPMLI-GZTJUZNOSA-NSynonyms
CCOC1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=C(C=C3)OCC(=O)OC)OC)C(=O)NC2=S
CCOc1ccc(cc1)N1C(=S)NC(=O)C(=Cc2ccc(c(c2)OC)OCC(=O)OC)C1=O
InChI=1SC23H22N2O7Sc1431168615(7916)2522(28)17(21(27)2423(25)33)111451018(19(1214)292)321320(26)303h512H413H213H3(H242733)b1711+
METHYL(4((E)(1(4ETHOXYPHENYL)46DIOXO2THIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)2METHOXYPHENOXY)ACETATE
methyl2(4((E)(1(4ethoxyphenyl)46dioxo2sulfanylidene13diazinan5ylidene)methyl)2methoxyphenoxy)acetate
MFCD02085178
ZINC000009933314
ZINC09933314
ZINC9933314
Check stock
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Check stock on Vitas-MAvailable files
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