Vitas-M small molecule compound

ethyl 5-(diethylcarbamoyl)-4-methyl-2-{[(2E)-3-phenylprop-2-enoyl]amino}thiophene-3-carboxylate

Catalog ID
STK429144
SMILES CCOC(=O)c1c(NC(=O)/C=C/c2ccccc2)sc(c1C)C(=O)N(CC)CC

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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 C22H26N2O4S MW 414.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26N2O4S/c1-5-24(6-2)21(26)19-15(4)18(22(27)28-7-3)20(29-19)23-17(25)14-13-16-11-9-8-10-12-16/h8-14H,5-7H2,1-4H3,(H,23,25)/b14-13+
InChIKey
IGRWUPQQHYSWHG-BUHFOSPRSA-N
Synonyms

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=O)C=CC2=CC=CC=C2)C(=O)OCC)C
CCOC(=O)c1c(NC(=O)C=Cc2ccccc2)sc(c1C)C(=O)N(CC)CC
ETHYL2((2E)3PHENYLPROP2ENOYLAMINO)5(NNDIETHYLCARBAMOYL)4METHYLTHIOPHENE3CARBOXYLATE
ethyl5(diethylcarbamoyl)4methyl2(((2E)3phenylprop2enoyl)amino)thiophene3carboxylate
ETHYL5(DIETHYLCARBAMOYL)4METHYL2(((E)3PHENYLPROP2ENOYL)AMINO)THIOPHENE3CARBOXYLATE
InChI=1SC22H26N2O4Sc1524(62)21(26)1915(4)18(22(27)2873)20(2919)2317(25)1413161198101216h814H57H214H3(H2325)b1413+
MFCD01357473
ZINC000001217255
ZINC01217255
ZINC1217255

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Available files

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