Vitas-M small molecule compound

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

Catalog ID
STK381646
SMILES CCOC(=O)c1c(scc1c1ccccc1)NC(=O)/C(=C/c1ccc(o1)C)/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 C22H18N2O4S MW 406.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18N2O4S/c1-3-27-22(26)19-18(15-7-5-4-6-8-15)13-29-21(19)24-20(25)16(12-23)11-17-10-9-14(2)28-17/h4-11,13H,3H2,1-2H3,(H,24,25)/b16-11+
InChIKey
AIAGHJYTQKFOBW-LFIBNONCSA-N
Synonyms
327075-81-0
(E)ethyl2(2cyano3(5methylfuran2yl)acrylamido)4phenylthiophene3carboxylate
327075810
CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C(=CC3=CC=C(O3)C)C#N
CCOC(=O)c1c(scc1c1ccccc1)NC(=O)C(=Cc1ccc(o1)C)C#N
ethyl2(((2E)2cyano3(5methylfuran2yl)prop2enoyl)amino)4phenylthiophene3carboxylate
ETHYL2(((E)2CYANO3(5METHYLFURAN2YL)PROP2ENOYL)AMINO)4PHENYLTHIOPHENE3CARBOXYLATE
ETHYL2((2E)2CYANO3(5METHYL(2FURYL))PROP2ENOYLAMINO)4PHENYLTHIOPHENE3CARBOXYLATE
InChI=1SC22H18N2O4Sc132722(26)1918(157546815)132921(19)2420(25)16(1223)111710914(2)2817h41113H3H212H3(H2425)b1611+
MFCD01955724
ZINC000004525787
ZINC04525787
ZINC4525787

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Available files

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