Vitas-M small molecule compound

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

Catalog ID
STK439375
SMILES CCOC(=O)c1c(NC(=O)Nc2ccccc2)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 C19H22N2O3S MW 358.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H22N2O3S/c1-2-24-18(22)16-14-11-7-4-8-12-15(14)25-17(16)21-19(23)20-13-9-5-3-6-10-13/h3,5-6,9-10H,2,4,7-8,11-12H2,1H3,(H2,20,21,23)
InChIKey
LYEWOJDPFQGQBP-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=O)NC3=CC=CC=C3
ethyl2((phenylcarbamoyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
ethyl2(phenylcarbamoylamino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
InChI=1SC19H22N2O3Sc122418(22)1614117481215(14)2517(16)2119(23)201395361013h356910H24781112H21H3(H2202123)
MFCD01356513
ZINC000000695420
ZINC00695420
ZINC695420

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Available files

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