Vitas-M small molecule compound

ethyl 2-{[(2E)-2-cyano-3-{5-[4-(ethoxycarbonyl)phenyl]furan-2-yl}prop-2-enoyl]amino}-4,5-dimethylthiophene-3-carboxylate

Catalog ID
STK952710
SMILES CCOC(=O)c1ccc(cc1)c1ccc(o1)/C=C(/C(=O)Nc1sc(c(c1C(=O)OCC)C)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 C26H24N2O6S MW 492.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H24N2O6S/c1-5-32-25(30)18-9-7-17(8-10-18)21-12-11-20(34-21)13-19(14-27)23(29)28-24-22(26(31)33-6-2)15(3)16(4)35-24/h7-13H,5-6H2,1-4H3,(H,28,29)/b19-13+
InChIKey
YCPPRWCQTICVEH-CPNJWEJPSA-N
Synonyms
380424-54-4
(E)ethyl2(2cyano3(5(4(ethoxycarbonyl)phenyl)furan2yl)acrylamido)45dimethylthiophene3carboxylate
380424544
CCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C=C(C#N)C(=O)NC3=C(C(=C(S3)C)C)C(=O)OCC
CCOC(=O)c1ccc(cc1)c1ccc(o1)C=C(C(=O)Nc1sc(c(c1C(=O)OCC)C)C)C#N
ethyl2(((2E)2cyano3(5(4(ethoxycarbonyl)phenyl)furan2yl)prop2enoyl)amino)45dimethylthiophene3carboxylate
ETHYL2(((E)2CYANO3(5(4ETHOXYCARBONYLPHENYL)FURAN2YL)PROP2ENOYL)AMINO)45DIMETHYLTHIOPHENE3CARBOXYLATE
ETHYL2((2E)2CYANO3(5(4(ETHOXYCARBONYL)PHENYL)(2FURYL))PROP2ENOYLAMINO)45DIMETHYLTHIOPHENE3CARBOXYLATE
InChI=1SC26H24N2O6Sc153225(30)189717(81018)21121120(3421)1319(1427)23(29)282422(26(31)3362)15(3)16(4)3524h713H56H214H3(H2829)b1913+
MFCD02957012
ZINC000001454832
ZINC01454832
ZINC1454832

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Available files

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