Vitas-M small molecule compound

ethyl 2-({[6-bromo-2-(3-methylphenyl)quinolin-4-yl]carbonyl}amino)-5-(propan-2-yl)thiophene-3-carboxylate

Catalog ID
STK429767
SMILES CCOC(=O)c1cc(sc1NC(=O)c1cc(nc2c1cc(Br)cc2)c1cccc(c1)C)C(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 C27H25BrN2O3S MW 537.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25BrN2O3S/c1-5-33-27(32)21-14-24(15(2)3)34-26(21)30-25(31)20-13-23(17-8-6-7-16(4)11-17)29-22-10-9-18(28)12-19(20)22/h6-15H,5H2,1-4H3,(H,30,31)
InChIKey
JAESATPRJRNCEA-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(SC(=C1)C(C)C)NC(=O)C2=CC(=NC3=C2C=C(C=C3)Br)C4=CC(=CC=C4)C
ETHYL2(((6BROMO2(3METHYLPHENYL)4QUINOLINYL)CARBONYL)AMINO)5ISOPROPYL3THIOPHENECARBOXYLATE
ethyl2(((6bromo2(3methylphenyl)quinolin4yl)carbonyl)amino)5(propan2yl)thiophene3carboxylate
ETHYL2((6BROMO2(3METHYLPHENYL)(4QUINOLYL))CARBONYLAMINO)5(METHYLETHYL)THIOPHENE3CARBOXYLATE
ETHYL2((6BROMO2(3METHYLPHENYL)QUINOLINE4CARBONYL)AMINO)5PROPAN2YLTHIOPHENE3CARBOXYLATE
InChI=1SC27H25BrN2O3Sc153327(32)211424(15(2)3)3426(21)3025(31)201323(1786716(4)1117)292210918(28)1219(20)22h615H5H214H3(H3031)
MFCD03233391
ZINC000002730490
ZINC02730490
ZINC2730490

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Available files

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