Vitas-M small molecule compound
butyl 2-{[(2E)-2-cyano-3-(5-phenylfuran-2-yl)prop-2-enoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STL000287
SMILES CCCCOC(=O)c1c(NC(=O)/C(=C/c2ccc(o2)c2ccccc2)/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 C27H26N2O4S MW 474.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N2O4S/c1-2-3-15-32-27(31)24-21-11-7-8-12-23(21)34-26(24)29-25(30)19(17-28)16-20-13-14-22(33-20)18-9-5-4-6-10-18/h4-6,9-10,13-14,16H,2-3,7-8,11-12,15H2,1H3,(H,29,30)/b19-16+InChIKey
LODORADAYMJWTH-KNTRCKAVSA-NSynonyms
497230-51-0(E)butyl2(2cyano3(5phenylfuran2yl)acrylamido)4567tetrahydrobenzo(b)thiophene3carboxylate
497230510
butyl2(((2E)2cyano3(5phenylfuran2yl)prop2enoyl)amino)4567tetrahydro1benzothiophene3carboxylate
butyl2(((E)2cyano3(5phenylfuran2yl)prop2enoyl)amino)4567tetrahydro1benzothiophene3carboxylate
CCCCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(=CC3=CC=C(O3)C4=CC=CC=C4)C#N
CCCCOC(=O)c1c(NC(=O)C(=Cc2ccc(o2)c2ccccc2)C#N)sc2c1CCCC2
InChI=1SC27H26N2O4Sc123153227(31)242111781223(21)3426(24)2925(30)19(1728)1620131422(3320)1895461018h46910131416H2378111215H21H3(H2930)b1916+
MFCD03300607
ZINC000002343969
ZINC02343969
ZINC2343969
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