Vitas-M small molecule compound
ethyl 2-({[(4,6-dioxo-5-phenyl-1,4,5,6-tetrahydropyrimidin-2-yl)sulfanyl]acetyl}amino)-1,3-benzothiazole-6-carboxylate
Catalog ID
STK079143
SMILES CCOC(=O)c1ccc2c(c1)sc(n2)NC(=O)CSC1=NC(=O)C(C(=O)N1)c1ccccc1
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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 C22H18N4O5S2 MW 482.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18N4O5S2/c1-2-31-20(30)13-8-9-14-15(10-13)33-22(23-14)24-16(27)11-32-21-25-18(28)17(19(29)26-21)12-6-4-3-5-7-12/h3-10,17H,2,11H2,1H3,(H,23,24,27)(H,25,26,28,29)InChIKey
GIERRJVQQQJDIC-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=NC(=O)C(C(=O)N3)C4=CC=CC=C4
CCOC(=O)c1ccc2c(c1)sc(n2)NC(=O)CSC1=NC(=O)C(C(=O)N1)c1ccccc1
ethyl2((((46dioxo5phenyl1456tetrahydropyrimidin2yl)sulfanyl)acetyl)amino)13benzothiazole6carboxylate
ETHYL2((2((46DIOXO5PHENYL1HPYRIMIDIN2YL)SULFANYL)ACETYL)AMINO)13BENZOTHIAZOLE6CARBOXYLATE
InChI=1SC22H18N4O5S2c123120(30)13891415(1013)3322(2314)2416(27)1132212518(28)17(19(29)2621)126435712h31017H211H21H3(H232427)(H25262829)
MFCD01461632
STK079143
ZINC000008854082
ZINC08854082
ZINC08854084
ZINC8854082
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