Vitas-M small molecule compound

methyl 2-[(2,2-dimethylpropanoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Catalog ID
STK413419
SMILES COC(=O)c1c(sc2c1CCCC2)NC(=O)C(C)(C)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 C15H21NO3S MW 295.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H21NO3S/c1-15(2,3)14(18)16-12-11(13(17)19-4)9-7-5-6-8-10(9)20-12/h5-8H2,1-4H3,(H,16,18)
InChIKey
ABCMFMYHCLMCMQ-UHFFFAOYSA-N
Synonyms

CC(C)(C)C(=O)NC1=C(C2=C(S1)CCCC2)C(=O)OC
InChI=1SC15H21NO3Sc115(23)14(18)161211(13(17)194)9756810(9)2012h58H214H3(H1618)
methyl2((22dimethylpropanoyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl2(22dimethylpropanoylamino)4567tetrahydro1benzothiophene3carboxylate
MFCD01345784
ZINC000001904272
ZINC01904272
ZINC1904272

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Available files

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