Vitas-M small molecule compound
methyl 4-({[3-(4-chlorophenyl)-2,4-dioxo-3,4-dihydrothieno[3,2-d]pyrimidin-1(2H)-yl]acetyl}amino)benzoate
Catalog ID
STL077750
SMILES COC(=O)c1ccc(cc1)NC(=O)Cn1c2ccsc2c(=O)n(c1=O)c1ccc(cc1)Cl
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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 C22H16ClN3O5S MW 469.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H16ClN3O5S/c1-31-21(29)13-2-6-15(7-3-13)24-18(27)12-25-17-10-11-32-19(17)20(28)26(22(25)30)16-8-4-14(23)5-9-16/h2-11H,12H2,1H3,(H,24,27)InChIKey
DZPUOPQMMIKGPP-UHFFFAOYSA-NSynonyms
COC(=O)C1=CC=C(C=C1)NC(=O)CN2C3=C(C(=O)N(C2=O)C4=CC=C(C=C4)Cl)SC=C3
InChI=1SC22H16ClN3O5Sc13121(29)132615(7313)2418(27)12251710113219(17)20(28)26(22(25)30)168414(23)5916h211H12H21H3(H2427)
methyl4(((3(4chlorophenyl)24dioxo34dihydrothieno(32d)pyrimidin1(2H)yl)acetyl)amino)benzoate
methyl4((2(3(4chlorophenyl)24dioxothieno(32d)pyrimidin1yl)acetyl)amino)benzoate
MFCD18198977
ZINC000067218161
ZINC67218161
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