Vitas-M small molecule compound
methyl 4-({[3-(3-chlorophenyl)-2,4-dioxo-3,4-dihydrothieno[3,2-d]pyrimidin-1(2H)-yl]acetyl}amino)benzoate
Catalog ID
STL077626
SMILES COC(=O)c1ccc(cc1)NC(=O)Cn1c2ccsc2c(=O)n(c1=O)c1cccc(c1)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)13-5-7-15(8-6-13)24-18(27)12-25-17-9-10-32-19(17)20(28)26(22(25)30)16-4-2-3-14(23)11-16/h2-11H,12H2,1H3,(H,24,27)InChIKey
KEASNKAVYNWXNA-UHFFFAOYSA-NSynonyms
1261021-17-31261021173
COC(=O)C1=CC=C(C=C1)NC(=O)CN2C3=C(C(=O)N(C2=O)C4=CC(=CC=C4)Cl)SC=C3
InChI=1SC22H16ClN3O5Sc13121(29)135715(8613)2418(27)1225179103219(17)20(28)26(22(25)30)1642314(23)1116h211H12H21H3(H2427)
methyl4(((3(3chlorophenyl)24dioxo34dihydrothieno(32d)pyrimidin1(2H)yl)acetyl)amino)benzoate
methyl4((2(3(3chlorophenyl)24dioxothieno(32d)pyrimidin1yl)acetyl)amino)benzoate
MFCD18198853
ZINC000067218089
ZINC67218089
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