Vitas-M small molecule compound
ethyl 4-({[3-(3,4-dimethylphenyl)-2,4-dioxo-3,4-dihydrothieno[3,2-d]pyrimidin-1(2H)-yl]acetyl}amino)benzoate
Catalog ID
STL077428
SMILES CCOC(=O)c1ccc(cc1)NC(=O)Cn1c2ccsc2c(=O)n(c1=O)c1ccc(c(c1)C)C
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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 C25H23N3O5S MW 477.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23N3O5S/c1-4-33-24(31)17-6-8-18(9-7-17)26-21(29)14-27-20-11-12-34-22(20)23(30)28(25(27)32)19-10-5-15(2)16(3)13-19/h5-13H,4,14H2,1-3H3,(H,26,29)InChIKey
VCVPXYBRFHOTBA-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CC=C(C=C1)NC(=O)CN2C3=C(C(=O)N(C2=O)C4=CC(=C(C=C4)C)C)SC=C3
ethyl4(((3(34dimethylphenyl)24dioxo34dihydrothieno(32d)pyrimidin1(2H)yl)acetyl)amino)benzoate
ethyl4((2(3(34dimethylphenyl)24dioxothieno(32d)pyrimidin1yl)acetyl)amino)benzoate
InChI=1SC25H23N3O5Sc143324(31)176818(9717)2621(29)14272011123422(20)23(30)28(25(27)32)1910515(2)16(3)1319h513H414H213H3(H2629)
MFCD18198655
ZINC000067217997
ZINC67217997
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