Vitas-M small molecule compound

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

Catalog ID
STK867313
SMILES CCOC(=O)c1c(scc1c1ccccc1)NC(=O)/C(=C/c1cccs1)/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 C21H16N2O3S2 MW 408.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16N2O3S2/c1-2-26-21(25)18-17(14-7-4-3-5-8-14)13-28-20(18)23-19(24)15(12-22)11-16-9-6-10-27-16/h3-11,13H,2H2,1H3,(H,23,24)/b15-11+
InChIKey
NPRXYPLGEJWZFL-RVDMUPIBSA-N
Synonyms
327075-57-0
(E)ethyl2(2cyano3(thiophen2yl)acrylamido)4phenylthiophene3carboxylate
327075570
CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C(=CC3=CC=CS3)C#N
CCOC(=O)c1c(scc1c1ccccc1)NC(=O)C(=Cc1cccs1)C#N
ethyl2(((2E)2cyano3(thiophen2yl)prop2enoyl)amino)4phenylthiophene3carboxylate
ETHYL2(((E)2CYANO3THIOPHEN2YLPROP2ENOYL)AMINO)4PHENYLTHIOPHENE3CARBOXYLATE
ETHYL2((2E)2CYANO3(2THIENYL)PROP2ENOYLAMINO)4PHENYLTHIOPHENE3CARBOXYLATE
InChI=1SC21H16N2O3S2c122621(25)1817(147435814)132820(18)2319(24)15(1222)111696102716h31113H2H21H3(H2324)b1511+
MFCD01953753
ZINC000001453706
ZINC01453706
ZINC1453706

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Available files

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