Vitas-M small molecule compound

methyl 2-{[(5-ethyl-1-benzofuran-3-yl)acetyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

Catalog ID
STK908893
SMILES CCc1ccc2c(c1)c(co2)CC(=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 C21H21NO4S MW 383.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21NO4S/c1-3-12-7-8-16-15(9-12)13(11-26-16)10-18(23)22-20-19(21(24)25-2)14-5-4-6-17(14)27-20/h7-9,11H,3-6,10H2,1-2H3,(H,22,23)
InChIKey
DQHIRPAGRXTBEP-UHFFFAOYSA-N
Synonyms

CCC1=CC2=C(C=C1)OC=C2CC(=O)NC3=C(C4=C(S3)CCC4)C(=O)OC
InChI=1SC21H21NO4Sc1312781615(912)13(112616)1018(23)222019(21(24)252)1454617(14)2720h7911H3610H212H3(H2223)
methyl2(((5ethyl1benzofuran3yl)acetyl)amino)56dihydro4Hcyclopenta(b)thiophene3carboxylate
methyl2((2(5ethyl1benzofuran3yl)acetyl)amino)56dihydro4Hcyclopenta(b)thiophene3carboxylate
MFCD06648175
ZINC000006809824
ZINC06809824
ZINC6809824

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Available files

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