Vitas-M small molecule compound

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

Catalog ID
STK426936
SMILES COC(=O)c1c(sc2c1CCC2)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 C26H22N2O3S MW 442.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22N2O3S/c1-15-7-5-8-16(13-15)21-14-19(17-9-3-4-11-20(17)27-21)24(29)28-25-23(26(30)31-2)18-10-6-12-22(18)32-25/h3-5,7-9,11,13-14H,6,10,12H2,1-2H3,(H,28,29)
InChIKey
OLZDFEXEGQWIDV-UHFFFAOYSA-N
Synonyms
5698-93-1
5698931
CC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C5=C(S4)CCC5)C(=O)OC
InChI=1SC26H22N2O3Sc11575816(1315)211419(179341120(17)2721)24(29)282523(26(30)312)181061222(18)3225h3579111314H61012H212H3(H2829)
methyl2(((2(3methylphenyl)quinolin4yl)carbonyl)amino)56dihydro4Hcyclopenta(b)thiophene3carboxylate
METHYL2((2(3METHYLPHENYL)4QUINOLYL)CARBONYLAMINO)456TRIHYDROCYCLOPENTA(21B)THIOPHENE3CARBOXYLATE
METHYL2((2(3METHYLPHENYL)QUINOLINE4CARBONYL)AMINO)56DIHYDRO4HCYCLOPENTA(B)THIOPHENE3CARBOXYLATE
MFCD01343239
ZINC000002736749
ZINC02736749
ZINC2736749

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Available files

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