Vitas-M small molecule compound

methyl 2-[(3-phenylpropanoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

Catalog ID
STK317605
SMILES COC(=O)c1c(NC(=O)CCc2ccccc2)sc2c1CCCCC2

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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 C20H23NO3S MW 357.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23NO3S/c1-24-20(23)18-15-10-6-3-7-11-16(15)25-19(18)21-17(22)13-12-14-8-4-2-5-9-14/h2,4-5,8-9H,3,6-7,10-13H2,1H3,(H,21,22)
InChIKey
SLSCSEOQWGWXJE-UHFFFAOYSA-N
Synonyms
477571-57-6
477571576
COC(=O)C1=C(SC2=C1CCCCC2)NC(=O)CCC3=CC=CC=C3
InChI=1SC20H23NO3Sc12420(23)1815106371116(15)2519(18)2117(22)1312148425914h24589H3671013H21H3(H2122)
methyl2((3phenylpropanoyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
methyl2(3phenylpropanoylamino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
MFCD03386843
ZINC000002773966
ZINC02773966
ZINC2773966

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Available files

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