Vitas-M small molecule compound

ethyl 2-({(2E)-2-cyano-3-[5-(2,5-dichlorophenyl)furan-2-yl]prop-2-enoyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Catalog ID
STK740168
SMILES CCOC(=O)c1c(NC(=O)/C(=C/c2ccc(o2)c2cc(Cl)ccc2Cl)/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 C26H22Cl2N2O4S MW 529.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22Cl2N2O4S/c1-3-33-26(32)23-18-7-4-14(2)10-22(18)35-25(23)30-24(31)15(13-29)11-17-6-9-21(34-17)19-12-16(27)5-8-20(19)28/h5-6,8-9,11-12,14H,3-4,7,10H2,1-2H3,(H,30,31)/b15-11+
InChIKey
WLIGUPMRTXETTH-RVDMUPIBSA-N
Synonyms
489444-35-1
(E)ethyl2(2cyano3(5(25dichlorophenyl)furan2yl)acrylamido)6methyl4567tetrahydrobenzo(b)thiophene3carboxylate
489444351
CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)C(=CC3=CC=C(O3)C4=C(C=CC(=C4)Cl)Cl)C#N
CCOC(=O)c1c(NC(=O)C(=Cc2ccc(o2)c2cc(Cl)ccc2Cl)C#N)sc2c1CCC(C2)C
ethyl2(((2E)2cyano3(5(25dichlorophenyl)furan2yl)prop2enoyl)amino)6methyl4567tetrahydro1benzothiophene3carboxylate
ethyl2(((E)2cyano3(5(25dichlorophenyl)furan2yl)prop2enoyl)amino)6methyl4567tetrahydro1benzothiophene3carboxylate
InChI=1SC26H22Cl2N2O4Sc133326(32)23187414(2)1022(18)3525(23)3024(31)15(1329)11176921(3417)191216(27)5820(19)28h5689111214H34710H212H3(H3031)b1511+
MFCD03297448
ZINC000002276513
ZINC000002276515

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.