Vitas-M small molecule compound
butyl 2-({(2E)-2-cyano-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK740201
SMILES CCCCOC(=O)c1c(NC(=O)/C(=C/c2ccc(o2)c2cccc(c2Cl)Cl)/C#N)sc2c1CCCC2
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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 C27H24Cl2N2O4S MW 543.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H24Cl2N2O4S/c1-2-3-13-34-27(33)23-19-7-4-5-10-22(19)36-26(23)31-25(32)16(15-30)14-17-11-12-21(35-17)18-8-6-9-20(28)24(18)29/h6,8-9,11-12,14H,2-5,7,10,13H2,1H3,(H,31,32)/b16-14+InChIKey
YBDBLNCJYIXFQY-JQIJEIRASA-NSynonyms
500194-48-9(E)butyl2(2cyano3(5(23dichlorophenyl)furan2yl)acrylamido)4567tetrahydrobenzo(b)thiophene3carboxylate
500194489
butyl2(((2E)2cyano3(5(23dichlorophenyl)furan2yl)prop2enoyl)amino)4567tetrahydro1benzothiophene3carboxylate
butyl2(((E)2cyano3(5(23dichlorophenyl)furan2yl)prop2enoyl)amino)4567tetrahydro1benzothiophene3carboxylate
CCCCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(=CC3=CC=C(O3)C4=C(C(=CC=C4)Cl)Cl)C#N
CCCCOC(=O)c1c(NC(=O)C(=Cc2ccc(o2)c2cccc(c2Cl)Cl)C#N)sc2c1CCCC2
InChI=1SC27H24Cl2N2O4Sc123133427(33)23197451022(19)3626(23)3125(32)16(1530)1417111221(3517)1886920(28)24(18)29h689111214H2571013H21H3(H3132)b1614+
MFCD03304776
ZINC000002359681
ZINC2359681
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