Vitas-M small molecule compound

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

Catalog ID
STK448914
SMILES COC(=O)c1c(sc2c1CCC2)NC(=O)c1c(C)c(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 C26H20Cl2N2O3S MW 511.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H20Cl2N2O3S/c1-13-21(24(31)30-25-22(26(32)33-2)17-7-5-9-20(17)34-25)16-6-3-4-8-19(16)29-23(13)15-11-10-14(27)12-18(15)28/h3-4,6,8,10-12H,5,7,9H2,1-2H3,(H,30,31)
InChIKey
OVDQFQKUXLOVBW-UHFFFAOYSA-N
Synonyms

CC1=C(C2=CC=CC=C2N=C1C3=C(C=C(C=C3)Cl)Cl)C(=O)NC4=C(C5=C(S4)CCC5)C(=O)OC
InChI=1SC26H20Cl2N2O3Sc11321(24(31)302522(26(32)332)1775920(17)3425)16634819(16)2923(13)15111014(27)1218(15)28h34681012H579H212H3(H3031)
methyl2(((2(24dichlorophenyl)3methylquinolin4yl)carbonyl)amino)56dihydro4Hcyclopenta(b)thiophene3carboxylate
METHYL2((2(24DICHLOROPHENYL)3METHYL4QUINOLYL)CARBONYLAMINO)456TRIHYDROCYCLOPENTA(21B)THIOPHENE3CARBOXYLATE
METHYL2((2(24DICHLOROPHENYL)3METHYLQUINOLINE4CARBONYL)AMINO)56DIHYDRO4HCYCLOPENTA(B)THIOPHENE3CARBOXYLATE
MFCD01345594
ZINC000020295262
ZINC20295262

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Available files

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