Vitas-M small molecule compound
ethyl 2-{[(2E)-2-cyano-3-(naphthalen-1-yl)prop-2-enoyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STL016797
SMILES CCOC(=O)c1c(NC(=O)/C(=C/c2cccc3c2cccc3)/C#N)sc2c1CCC(C2)C
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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 C26H24N2O3S MW 444.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H24N2O3S/c1-3-31-26(30)23-21-12-11-16(2)13-22(21)32-25(23)28-24(29)19(15-27)14-18-9-6-8-17-7-4-5-10-20(17)18/h4-10,14,16H,3,11-13H2,1-2H3,(H,28,29)/b19-14+InChIKey
FFGBUAPTKUBPKZ-XMHGGMMESA-NSynonyms
CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)C(=CC3=CC=CC4=CC=CC=C43)C#N
CCOC(=O)c1c(NC(=O)C(=Cc2cccc3c2cccc3)C#N)sc2c1CCC(C2)C
ethyl2(((2E)2cyano3(naphthalen1yl)prop2enoyl)amino)6methyl4567tetrahydro1benzothiophene3carboxylate
ethyl2(((E)2cyano3naphthalen1ylprop2enoyl)amino)6methyl4567tetrahydro1benzothiophene3carboxylate
InChI=1SC26H24N2O3Sc133126(30)2321121116(2)1322(21)3225(23)2824(29)19(1527)1418968177451020(17)18h4101416H31113H212H3(H2829)b1914+
MFCD04161111
ZINC000002670700
ZINC000002670702
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