Vitas-M small molecule compound

ethyl 2-{[(2E)-3-(4-chlorophenyl)-2-cyanoprop-2-enoyl]amino}-4-phenylthiophene-3-carboxylate

Catalog ID
STK739811
SMILES CCOC(=O)c1c(scc1c1ccccc1)NC(=O)/C(=C/c1ccc(cc1)Cl)/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 C23H17ClN2O3S MW 436.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H17ClN2O3S/c1-2-29-23(28)20-19(16-6-4-3-5-7-16)14-30-22(20)26-21(27)17(13-25)12-15-8-10-18(24)11-9-15/h3-12,14H,2H2,1H3,(H,26,27)/b17-12+
InChIKey
DGDIWZGLCOIFEM-SFQUDFHCSA-N
Synonyms
327075-55-8
(E)ethyl2(3(4chlorophenyl)2cyanoacrylamido)4phenylthiophene3carboxylate
327075558
CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C(=CC3=CC=C(C=C3)Cl)C#N
CCOC(=O)c1c(scc1c1ccccc1)NC(=O)C(=Cc1ccc(cc1)Cl)C#N
ethyl2(((2E)3(4chlorophenyl)2cyanoprop2enoyl)amino)4phenylthiophene3carboxylate
ETHYL2(((E)3(4CHLOROPHENYL)2CYANOPROP2ENOYL)AMINO)4PHENYLTHIOPHENE3CARBOXYLATE
ETHYL2((2E)3(4CHLOROPHENYL)2CYANOPROP2ENOYLAMINO)4PHENYLTHIOPHENE3CARBOXYLATE
InChI=1SC23H17ClN2O3Sc122923(28)2019(166435716)143022(20)2621(27)17(1325)121581018(24)11915h31214H2H21H3(H2627)b1712+
MFCD01956223
ZINC000001932467
ZINC01932467
ZINC1932467

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Available files

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