Vitas-M small molecule compound

propan-2-yl 4-cyano-5-({[2-(4-ethylphenyl)quinolin-4-yl]carbonyl}amino)-3-methylthiophene-2-carboxylate

Catalog ID
STK421464
SMILES N#Cc1c(NC(=O)c2cc(nc3c2cccc3)c2ccc(cc2)CC)sc(c1C)C(=O)OC(C)C

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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 C28H25N3O3S MW 483.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25N3O3S/c1-5-18-10-12-19(13-11-18)24-14-21(20-8-6-7-9-23(20)30-24)26(32)31-27-22(15-29)17(4)25(35-27)28(33)34-16(2)3/h6-14,16H,5H2,1-4H3,(H,31,32)
InChIKey
MFVSQUWFLAXIBU-UHFFFAOYSA-N
Synonyms
353785-84-9
353785849
CCC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C(=C(S4)C(=O)OC(C)C)C)C#N
InChI=1SC28H25N3O3Sc1518101219(131118)241421(20867923(20)3024)26(32)312722(1529)17(4)25(3527)28(33)3416(2)3h61416H5H214H3(H3132)
MFCD01338296
propan2yl4cyano5(((2(4ethylphenyl)quinolin4yl)carbonyl)amino)3methylthiophene2carboxylate
PROPAN2YL4CYANO5((2(4ETHYLPHENYL)QUINOLINE4CARBONYL)AMINO)3METHYLTHIOPHENE2CARBOXYLATE
PROPAN2YL4CYANO5(2(4ETHYLPHENYL)QUINOLINE4AMIDO)3METHYLTHIOPHENE2CARBOXYLATE
ZINC000002734292
ZINC02734292
ZINC2734292

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Available files

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