Vitas-M small molecule compound

ethyl 4-cyano-3-methyl-5-{[(2-phenylquinolin-4-yl)carbonyl]amino}thiophene-2-carboxylate

Catalog ID
STK418580
SMILES CCOC(=O)c1sc(c(c1C)C#N)NC(=O)c1cc(nc2c1cccc2)c1ccccc1

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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 C25H19N3O3S MW 441.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H19N3O3S/c1-3-31-25(30)22-15(2)19(14-26)24(32-22)28-23(29)18-13-21(16-9-5-4-6-10-16)27-20-12-8-7-11-17(18)20/h4-13H,3H2,1-2H3,(H,28,29)
InChIKey
HXEHNYSFNSVPOV-UHFFFAOYSA-N
Synonyms
353766-94-6
353766946
4CYANO3METHYL5((2PHENYLQUINOLINE4CARBONYL)AMINO)THIOPHENE2CARBOXYLICACIDETHYLESTER
4CYANO3METHYL5((OXO(2PHENYL4QUINOLINYL)METHYL)AMINO)2THIOPHENECARBOXYLICACIDETHYLESTER
CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4)C#N)C
ETHYL4CYANO3METHYL5(((2PHENYL4QUINOLINYL)CARBONYL)AMINO)2THIOPHENECARBOXYLATE
ethyl4cyano3methyl5(((2phenylquinolin4yl)carbonyl)amino)thiophene2carboxylate
ETHYL4CYANO3METHYL5((2PHENYLQUINOLIN4YL)CARBONYLAMINO)THIOPHENE2CARBOXYLATE
ETHYL4CYANO3METHYL5((2PHENYLQUINOLINE4CARBONYL)AMINO)THIOPHENE2CARBOXYLATE
ETHYL4CYANO3METHYL5(2PHENYLQUINOLINE4CARBOXAMIDO)THIOPHENE2CARBOXYLATE
InChI=1SC25H19N3O3Sc133125(30)2215(2)19(1426)24(3222)2823(29)181321(1695461016)272012871117(18)20h413H3H212H3(H2829)
MFCD01920482
ZINC000000668962
ZINC00668962
ZINC668962

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Available files

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