Vitas-M small molecule compound
ethyl 2-({(2E)-3-[5-(2-chloro-4-nitrophenyl)furan-2-yl]-2-cyanoprop-2-enoyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STL021009
SMILES CCOC(=O)c1c(NC(=O)/C(=C/c2ccc(o2)c2ccc(cc2Cl)[N+](=O)[O-])/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 C26H22ClN3O6S MW 540.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22ClN3O6S/c1-3-35-26(32)23-19-7-4-14(2)10-22(19)37-25(23)29-24(31)15(13-28)11-17-6-9-21(36-17)18-8-5-16(30(33)34)12-20(18)27/h5-6,8-9,11-12,14H,3-4,7,10H2,1-2H3,(H,29,31)/b15-11+InChIKey
BGBCQNKOHXJIGZ-RVDMUPIBSA-NSynonyms
497864-72-9(E)ethyl2(3(5(2chloro4nitrophenyl)furan2yl)2cyanoacrylamido)6methyl4567tetrahydrobenzo(b)thiophene3carboxylate
497864729
CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)C(=CC3=CC=C(O3)C4=C(C=C(C=C4)(N+)(=O)(O))Cl)C#N
CCOC(=O)c1c(NC(=O)C(=Cc2ccc(o2)c2ccc(cc2Cl)(N+)(=O)(O))C#N)sc2c1CCC(C2)C
ethyl2(((2E)3(5(2chloro4nitrophenyl)furan2yl)2cyanoprop2enoyl)amino)6methyl4567tetrahydro1benzothiophene3carboxylate
ethyl2(((E)3(5(2chloro4nitrophenyl)furan2yl)2cyanoprop2enoyl)amino)6methyl4567tetrahydro1benzothiophene3carboxylate
InChI=1SC26H22ClN3O6Sc133526(32)23197414(2)1022(19)3725(23)2924(31)15(1328)11176921(3617)188516(30(33)34)1220(18)27h5689111214H34710H212H3(H2931)b1511+
MFCD03300857
ZINC000002345637
ZINC000002345641
Check stock
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Check stock on Vitas-MAvailable files
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