Vitas-M small molecule compound

ethyl 2-{[(2E)-2-cyano-3-(5-phenylfuran-2-yl)prop-2-enoyl]amino}-4-phenylthiophene-3-carboxylate

Catalog ID
STK952756
SMILES CCOC(=O)c1c(scc1c1ccccc1)NC(=O)/C(=C/c1ccc(o1)c1ccccc1)/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 C27H20N2O4S MW 468.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H20N2O4S/c1-2-32-27(31)24-22(18-9-5-3-6-10-18)17-34-26(24)29-25(30)20(16-28)15-21-13-14-23(33-21)19-11-7-4-8-12-19/h3-15,17H,2H2,1H3,(H,29,30)/b20-15+
InChIKey
VQIVJWQQOBBSJD-HMMYKYKNSA-N
Synonyms
373375-45-2
(E)ethyl2(2cyano3(5phenylfuran2yl)acrylamido)4phenylthiophene3carboxylate
373375452
CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C(=CC3=CC=C(O3)C4=CC=CC=C4)C#N
CCOC(=O)c1c(scc1c1ccccc1)NC(=O)C(=Cc1ccc(o1)c1ccccc1)C#N
ethyl2(((2E)2cyano3(5phenylfuran2yl)prop2enoyl)amino)4phenylthiophene3carboxylate
ETHYL2(((E)2CYANO3(5PHENYLFURAN2YL)PROP2ENOYL)AMINO)4PHENYLTHIOPHENE3CARBOXYLATE
ETHYL2((2E)2CYANO3(5PHENYL(2FURYL))PROP2ENOYLAMINO)4PHENYLTHIOPHENE3CARBOXYLATE
InChI=1SC27H20N2O4Sc123227(31)2422(1895361018)173426(24)2925(30)20(1628)1521131423(3321)19117481219h31517H2H21H3(H2930)b2015+
MFCD01947206
ZINC000002280675
ZINC02280675
ZINC2280675

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Available files

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