Vitas-M small molecule compound
2-{[3-(methylsulfanyl)phenyl]amino}-2-oxoethyl (2E)-3-(3,4-dimethoxyphenyl)prop-2-enoate
Catalog ID
STL187396
SMILES COc1cc(/C=C/C(=O)OCC(=O)Nc2cccc(c2)SC)ccc1OC
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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 C20H21NO5S MW 387.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21NO5S/c1-24-17-9-7-14(11-18(17)25-2)8-10-20(23)26-13-19(22)21-15-5-4-6-16(12-15)27-3/h4-12H,13H2,1-3H3,(H,21,22)/b10-8+InChIKey
YPSRFFVUHFOUKA-CSKARUKUSA-NSynonyms
(2(3METHYLSULFANYLANILINO)2OXOETHYL)(E)3(34DIMETHOXYPHENYL)PROP2ENOATE
2((3(methylsulfanyl)phenyl)amino)2oxoethyl(2E)3(34dimethoxyphenyl)prop2enoate
COC1=C(C=C(C=C1)C=CC(=O)OCC(=O)NC2=CC(=CC=C2)SC)OC
COc1cc(C=CC(=O)OCC(=O)Nc2cccc(c2)SC)ccc1OC
InChI=1SC20H21NO5Sc124179714(1118(17)252)81020(23)261319(22)211554616(1215)273h412H13H213H3(H2122)b108+
MFCD06528301
ZINC000005404818
ZINC05404818
ZINC5404818
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Check stock on Vitas-MAvailable files
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