Vitas-M small molecule compound
ethyl 4-(5-{(1E)-3-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-cyano-3-oxoprop-1-en-1-yl}furan-2-yl)benzoate
Catalog ID
STK952711
SMILES CCOC(=O)c1ccc(cc1)c1ccc(o1)/C=C(/C(=O)Nc1sc2c(c1C(=O)N)CCCC2)\C#N
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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 C26H23N3O5S MW 489.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23N3O5S/c1-2-33-26(32)16-9-7-15(8-10-16)20-12-11-18(34-20)13-17(14-27)24(31)29-25-22(23(28)30)19-5-3-4-6-21(19)35-25/h7-13H,2-6H2,1H3,(H2,28,30)(H,29,31)/b17-13+InChIKey
CIUSMJHWPLYHNB-GHRIWEEISA-NSynonyms
380434-78-6(E)ethyl4(5(3((3carbamoyl4567tetrahydrobenzo(b)thiophen2yl)amino)2cyano3oxoprop1en1yl)furan2yl)benzoate
380434786
CCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C=C(C#N)C(=O)NC3=C(C4=C(S3)CCCC4)C(=O)N
CCOC(=O)c1ccc(cc1)c1ccc(o1)C=C(C(=O)Nc1sc2c(c1C(=O)N)CCCC2)C#N
ethyl4(5((1E)3((3carbamoyl4567tetrahydro1benzothiophen2yl)amino)2cyano3oxoprop1en1yl)furan2yl)benzoate
ethyl4(5((E)3((3carbamoyl4567tetrahydro1benzothiophen2yl)amino)2cyano3oxoprop1enyl)furan2yl)benzoate
InChI=1SC26H23N3O5Sc123326(32)169715(81016)20121118(3420)1317(1427)24(31)292522(23(28)30)19534621(19)3525h713H26H21H3(H22830)(H2931)b1713+
MFCD02957010
ZINC000001775043
ZINC01775043
ZINC1775043
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.