Vitas-M small molecule compound
methyl 2-{[(2E)-3-(furan-2-yl)prop-2-enoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK123531
SMILES COC(=O)c1c(NC(=O)/C=C/c2ccco2)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 C17H17NO4S MW 331.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17NO4S/c1-21-17(20)15-12-6-2-3-7-13(12)23-16(15)18-14(19)9-8-11-5-4-10-22-11/h4-5,8-10H,2-3,6-7H2,1H3,(H,18,19)/b9-8+InChIKey
KFFMLPZFMHIVBX-CMDGGOBGSA-NSynonyms
COC(=O)C1=C(SC2=C1CCCC2)NC(=O)C=CC3=CC=CO3
COC(=O)c1c(NC(=O)C=Cc2ccco2)sc2c1CCCC2
InChI=1SC17H17NO4Sc12117(20)1512623713(12)2316(15)1814(19)981154102211h45810H2367H21H3(H1819)b98+
methyl2(((2E)3(furan2yl)prop2enoyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl2(((E)3(furan2yl)prop2enoyl)amino)4567tetrahydro1benzothiophene3carboxylate
MFCD01354377
ZINC000000441395
ZINC00441395
ZINC441395
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.