Vitas-M small molecule compound
2-{[3-(methylsulfanyl)phenyl]amino}-2-oxoethyl (3,4-diethoxyphenyl)acetate
Catalog ID
STL187861
SMILES CCOc1cc(ccc1OCC)CC(=O)OCC(=O)Nc1cccc(c1)SC
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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 C21H25NO5S MW 403.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25NO5S/c1-4-25-18-10-9-15(11-19(18)26-5-2)12-21(24)27-14-20(23)22-16-7-6-8-17(13-16)28-3/h6-11,13H,4-5,12,14H2,1-3H3,(H,22,23)InChIKey
IONPKYVZAXWEIE-UHFFFAOYSA-NSynonyms
(2(3methylsulfanylanilino)2oxoethyl)2(34diethoxyphenyl)acetate
2((3(methylsulfanyl)phenyl)amino)2oxoethyl(34diethoxyphenyl)acetate
CCOC1=C(C=C(C=C1)CC(=O)OCC(=O)NC2=CC(=CC=C2)SC)OCC
InChI=1SC21H25NO5Sc14251810915(1119(18)2652)1221(24)271420(23)221676817(1316)283h61113H451214H213H3(H2223)
MFCD22388242
ZINC000072330925
ZINC72330925
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