Vitas-M small molecule compound

methyl 2-({[6-bromo-2-(3-methylphenyl)quinolin-4-yl]carbonyl}amino)-5-ethylthiophene-3-carboxylate

Catalog ID
STK429569
SMILES COC(=O)c1cc(sc1NC(=O)c1cc(nc2c1cc(Br)cc2)c1cccc(c1)C)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 C25H21BrN2O3S MW 509.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21BrN2O3S/c1-4-17-12-20(25(30)31-3)24(32-17)28-23(29)19-13-22(15-7-5-6-14(2)10-15)27-21-9-8-16(26)11-18(19)21/h5-13H,4H2,1-3H3,(H,28,29)
InChIKey
FNJOGTXFBRTWCH-UHFFFAOYSA-N
Synonyms

CCC1=CC(=C(S1)NC(=O)C2=CC(=NC3=C2C=C(C=C3)Br)C4=CC(=CC=C4)C)C(=O)OC
InChI=1SC25H21BrN2O3Sc14171220(25(30)313)24(3217)2823(29)191322(1575614(2)1015)27219816(26)1118(19)21h513H4H213H3(H2829)
METHYL2(((6BROMO2(3METHYLPHENYL)4QUINOLINYL)CARBONYL)AMINO)5ETHYL3THIOPHENECARBOXYLATE
methyl2(((6bromo2(3methylphenyl)quinolin4yl)carbonyl)amino)5ethylthiophene3carboxylate
METHYL2((6BROMO2(3METHYLPHENYL)(4QUINOLYL))CARBONYLAMINO)5ETHYLTHIOPHENE3CARBOXYLATE
METHYL2((6BROMO2(3METHYLPHENYL)QUINOLINE4CARBONYL)AMINO)5ETHYLTHIOPHENE3CARBOXYLATE
MFCD03233358
ZINC000002795182
ZINC02795182
ZINC2795182

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Available files

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