Vitas-M small molecule compound
methyl 2-{[(2E)-2-cyano-3-(naphthalen-1-yl)prop-2-enoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK949503
SMILES N#C/C(=C\c1cccc2c1cccc2)/C(=O)Nc1sc2c(c1C(=O)OC)CCCC2
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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 C24H20N2O3S MW 416.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H20N2O3S/c1-29-24(28)21-19-11-4-5-12-20(19)30-23(21)26-22(27)17(14-25)13-16-9-6-8-15-7-2-3-10-18(15)16/h2-3,6-10,13H,4-5,11-12H2,1H3,(H,26,27)/b17-13+InChIKey
KNLACUBHLSYXPT-GHRIWEEISA-NSynonyms
COC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(=CC3=CC=CC4=CC=CC=C43)C#N
InChI=1SC24H20N2O3Sc12924(28)211911451220(19)3023(21)2622(27)17(1425)1316968157231018(15)16h2361013H451112H21H3(H2627)b1713+
methyl2(((2E)2cyano3(naphthalen1yl)prop2enoyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl2(((E)2cyano3naphthalen1ylprop2enoyl)amino)4567tetrahydro1benzothiophene3carboxylate
MFCD04166168
N#CC(=Cc1cccc2c1cccc2)C(=O)Nc1sc2c(c1C(=O)OC)CCCC2
ZINC000001453392
ZINC01453392
ZINC1453392
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