Vitas-M small molecule compound

ethyl 7-oxo-2-(pentanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Catalog ID
STK279967
SMILES CCCCC(=O)Nc1sc2c(c1C(=O)OCC)CCCC2=O

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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 C16H21NO4S MW 323.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H21NO4S/c1-3-5-9-12(19)17-15-13(16(20)21-4-2)10-7-6-8-11(18)14(10)22-15/h3-9H2,1-2H3,(H,17,19)
InChIKey
KMFIXDNIKAALQS-UHFFFAOYSA-N
Synonyms
333774-28-0
333774280
CCCCC(=O)NC1=C(C2=C(S1)C(=O)CCC2)C(=O)OCC
ethyl7oxo2(pentanoylamino)4567tetrahydro1benzothiophene3carboxylate
ETHYL7OXO2(PENTANOYLAMINO)56DIHYDRO4H1BENZOTHIOPHENE3CARBOXYLATE
InChI=1SC16H21NO4Sc135912(19)171513(16(20)2142)1076811(18)14(10)2215h39H212H3(H1719)
MFCD00405604
ZINC000004866114
ZINC04866114
ZINC4866114

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Available files

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