Vitas-M small molecule compound

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

Catalog ID
STK419378
SMILES COc1cccc(c1)c1nc2ccccc2c(c1)C(=O)Nc1sc2c(c1C(=O)OC)CCC2

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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 C26H22N2O4S MW 458.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22N2O4S/c1-31-16-8-5-7-15(13-16)21-14-19(17-9-3-4-11-20(17)27-21)24(29)28-25-23(26(30)32-2)18-10-6-12-22(18)33-25/h3-5,7-9,11,13-14H,6,10,12H2,1-2H3,(H,28,29)
InChIKey
MKQHPHBLESKRMY-UHFFFAOYSA-N
Synonyms
361982-95-8
361982958
COC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C5=C(S4)CCC5)C(=O)OC
InChI=1SC26H22N2O4Sc1311685715(1316)211419(179341120(17)2721)24(29)282523(26(30)322)181061222(18)3325h3579111314H61012H212H3(H2829)
METHYL2(((2(3METHOXYPHENYL)4QUINOLINYL)CARBONYL)AMINO)56DIHYDRO4HCYCLOPENTA(B)THIOPHENE3CARBOXYLATE
methyl2(((2(3methoxyphenyl)quinolin4yl)carbonyl)amino)56dihydro4Hcyclopenta(b)thiophene3carboxylate
METHYL2((2(3METHOXYPHENYL)QUINOLINE4CARBONYL)AMINO)56DIHYDRO4HCYCLOPENTA(B)THIOPHENE3CARBOXYLATE
METHYL2(2(3METHOXYPHENYL)QUINOLINE4AMIDO)4H5H6HCYCLOPENTA(B)THIOPHENE3CARBOXYLATE
MFCD01354029
ZINC000002083575
ZINC02083575
ZINC2083575

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Available files

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