Vitas-M small molecule compound
ethyl 4-{4-amino-5-[(2,6-dimethylphenyl)carbamoyl]-2-thioxo-1,3-thiazol-3(2H)-yl}benzoate
Catalog ID
STL133953
SMILES CCOC(=O)c1ccc(cc1)n1c(=S)sc(c1N)C(=O)Nc1c(C)cccc1C
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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 C21H21N3O3S2 MW 427.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N3O3S2/c1-4-27-20(26)14-8-10-15(11-9-14)24-18(22)17(29-21(24)28)19(25)23-16-12(2)6-5-7-13(16)3/h5-11H,4,22H2,1-3H3,(H,23,25)InChIKey
POFPAORIXGTVCW-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CC=C(C=C1)N2C(=C(SC2=S)C(=O)NC3=C(C=CC=C3C)C)N
ETHYL4(4AMINO5((26DIMETHYLPHENYL)CARBAMOYL)2SULFANYLIDENE13THIAZOL3YL)BENZOATE
ethyl4(4amino5((26dimethylphenyl)carbamoyl)2thioxo13thiazol3(2H)yl)benzoate
InChI=1SC21H21N3O3S2c142720(26)1481015(11914)2418(22)17(2921(24)28)19(25)231612(2)65713(16)3h511H422H213H3(H2325)
MFCD02651599
ZINC000003018647
ZINC3018647
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