Vitas-M small molecule compound
ethyl 2-({(2E)-2-cyano-3-[1-(2,4-dichlorobenzyl)-1H-pyrrol-2-yl]prop-2-enoyl}amino)thiophene-3-carboxylate
Catalog ID
STK473590
SMILES CCOC(=O)c1ccsc1NC(=O)/C(=C/c1cccn1Cc1ccc(cc1Cl)Cl)/C#N
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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 C22H17Cl2N3O3S MW 474.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17Cl2N3O3S/c1-2-30-22(29)18-7-9-31-21(18)26-20(28)15(12-25)10-17-4-3-8-27(17)13-14-5-6-16(23)11-19(14)24/h3-11H,2,13H2,1H3,(H,26,28)/b15-10+InChIKey
UDYWJZNWSXOBDN-XNTDXEJSSA-NSynonyms
CCOC(=O)C1=C(SC=C1)NC(=O)C(=CC2=CC=CN2CC3=C(C=C(C=C3)Cl)Cl)C#N
CCOC(=O)c1ccsc1NC(=O)C(=Cc1cccn1Cc1ccc(cc1Cl)Cl)C#N
ethyl2(((2E)2cyano3(1(24dichlorobenzyl)1Hpyrrol2yl)prop2enoyl)amino)thiophene3carboxylate
ethyl2(((E)2cyano3(1((24dichlorophenyl)methyl)pyrrol2yl)prop2enoyl)amino)thiophene3carboxylate
InChI=1SC22H17Cl2N3O3Sc123022(29)18793121(18)2620(28)15(1225)101743827(17)13145616(23)1119(14)24h311H213H21H3(H2628)b1510+
MFCD07093351
ZINC000020169101
ZINC20169101
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