Vitas-M small molecule compound
ethyl 2-{[(2E)-3-{5-[4-(butoxycarbonyl)phenyl]furan-2-yl}-2-cyanoprop-2-enoyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK740172
SMILES CCCCOC(=O)c1ccc(cc1)c1ccc(o1)/C=C(/C(=O)Nc1sc2c(c1C(=O)OCC)CCC(C2)C)\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 C31H32N2O6S MW 560.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H32N2O6S/c1-4-6-15-38-30(35)21-10-8-20(9-11-21)25-14-12-23(39-25)17-22(18-32)28(34)33-29-27(31(36)37-5-2)24-13-7-19(3)16-26(24)40-29/h8-12,14,17,19H,4-7,13,15-16H2,1-3H3,(H,33,34)/b22-17+InChIKey
HMWCPKXBXOBBCJ-OQKWZONESA-NSynonyms
(E)ethyl2(3(5(4(butoxycarbonyl)phenyl)furan2yl)2cyanoacrylamido)6methyl4567tetrahydrobenzo(b)thiophene3carboxylateCCCCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C=C(C#N)C(=O)NC3=C(C4=C(S3)CC(CC4)C)C(=O)OCC
CCCCOC(=O)c1ccc(cc1)c1ccc(o1)C=C(C(=O)Nc1sc2c(c1C(=O)OCC)CCC(C2)C)C#N
ethyl2(((2E)3(5(4(butoxycarbonyl)phenyl)furan2yl)2cyanoprop2enoyl)amino)6methyl4567tetrahydro1benzothiophene3carboxylate
ethyl2(((E)3(5(4butoxycarbonylphenyl)furan2yl)2cyanoprop2enoyl)amino)6methyl4567tetrahydro1benzothiophene3carboxylate
Registry IDs
MFCD03293098ZINC000097968639
ZINC000097968640
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