Vitas-M small molecule compound

propyl 2-({[2-(3-chlorophenyl)-3-methylquinolin-4-yl]carbonyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

Catalog ID
STK422860
SMILES CCCOC(=O)c1c(sc2c1CCC2)NC(=O)c1c(C)c(nc2c1cccc2)c1cccc(c1)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 C28H25ClN2O3S MW 505.04 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25ClN2O3S/c1-3-14-34-28(33)24-20-11-7-13-22(20)35-27(24)31-26(32)23-16(2)25(17-8-6-9-18(29)15-17)30-21-12-5-4-10-19(21)23/h4-6,8-10,12,15H,3,7,11,13-14H2,1-2H3,(H,31,32)
InChIKey
HRSZBSNCKMBYBC-UHFFFAOYSA-N
Synonyms

CCCOC(=O)C1=C(SC2=C1CCC2)NC(=O)C3=C(C(=NC4=CC=CC=C43)C5=CC(=CC=C5)Cl)C
InChI=1SC28H25ClN2O3Sc13143428(33)24201171322(20)3527(24)3126(32)2316(2)25(1786918(29)1517)302112541019(21)23h468101215H37111314H212H3(H3132)
MFCD02176493
propyl2(((2(3chlorophenyl)3methylquinolin4yl)carbonyl)amino)56dihydro4Hcyclopenta(b)thiophene3carboxylate
PROPYL2((2(3CHLOROPHENYL)3METHYL4QUINOLYL)CARBONYLAMINO)456TRIHYDROCYCLOPENTA(21B)THIOPHENE3CARBOXYLATE
PROPYL2((2(3CHLOROPHENYL)3METHYLQUINOLINE4CARBONYL)AMINO)56DIHYDRO4HCYCLOPENTA(B)THIOPHENE3CARBOXYLATE
ZINC000002759293
ZINC02759293
ZINC2759293

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Available files

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