Vitas-M small molecule compound

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

Catalog ID
STK426947
SMILES COC(=O)c1c(scc1c1ccc(cc1)F)NC(=O)c1cc(nc2c1cccc2)c1cccc(c1)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 C29H21FN2O3S MW 496.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H21FN2O3S/c1-17-6-5-7-19(14-17)25-15-22(21-8-3-4-9-24(21)31-25)27(33)32-28-26(29(34)35-2)23(16-36-28)18-10-12-20(30)13-11-18/h3-16H,1-2H3,(H,32,33)
InChIKey
JVTCUEFODWMQTR-UHFFFAOYSA-N
Synonyms

CC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C(=CS4)C5=CC=C(C=C5)F)C(=O)OC
InChI=1SC29H21FN2O3Sc11765719(1417)251522(21834924(21)3125)27(33)322826(29(34)352)23(163628)18101220(30)131118h316H12H3(H3233)
methyl4(4fluorophenyl)2(((2(3methylphenyl)quinolin4yl)carbonyl)amino)thiophene3carboxylate
METHYL4(4FLUOROPHENYL)2((2(3METHYLPHENYL)(4QUINOLYL))CARBONYLAMINO)THIOPHENE3CARBOXYLATE
METHYL4(4FLUOROPHENYL)2((2(3METHYLPHENYL)QUINOLINE4CARBONYL)AMINO)THIOPHENE3CARBOXYLATE
MFCD03073911
ZINC000002755401
ZINC02755401
ZINC2755401

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Available files

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