Vitas-M small molecule compound

methyl 2-({[2-(2,4-dichlorophenyl)quinolin-4-yl]carbonyl}amino)-4-(4-methylphenyl)thiophene-3-carboxylate

Catalog ID
STK446241
SMILES COC(=O)c1c(scc1c1ccc(cc1)C)NC(=O)c1cc(nc2c1cccc2)c1ccc(cc1Cl)Cl

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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 C29H20Cl2N2O3S MW 547.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H20Cl2N2O3S/c1-16-7-9-17(10-8-16)22-15-37-28(26(22)29(35)36-2)33-27(34)21-14-25(20-12-11-18(30)13-23(20)31)32-24-6-4-3-5-19(21)24/h3-15H,1-2H3,(H,33,34)
InChIKey
IFZCCQRPXJCCSA-UHFFFAOYSA-N
Synonyms
445254-67-1
445254671
CC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=C(C=C(C=C5)Cl)Cl
InChI=1SC29H20Cl2N2O3Sc1167917(10816)22153728(26(22)29(35)362)3327(34)211425(20121118(30)1323(20)31)3224643519(21)24h315H12H3(H3334)
METHYL2(((2(24DICHLOROPHENYL)4QUINOLINYL)CARBONYL)AMINO)4(4METHYLPHENYL)3THIOPHENECARBOXYLATE
methyl2(((2(24dichlorophenyl)quinolin4yl)carbonyl)amino)4(4methylphenyl)thiophene3carboxylate
METHYL2((2(24DICHLOROPHENYL)QUINOLINE4CARBONYL)AMINO)4(4METHYLPHENYL)THIOPHENE3CARBOXYLATE
MFCD02054837
ZINC000002750364
ZINC02750364
ZINC2750364

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Available files

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