Vitas-M small molecule compound

N-(2,4-dimethoxyphenyl)-2-[(phenoxyacetyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide

Catalog ID
STK030951
SMILES COc1ccc(c(c1)OC)NC(=O)c1c(NC(=O)COc2ccccc2)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 C26H28N2O5S MW 480.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H28N2O5S/c1-31-18-13-14-20(21(15-18)32-2)27-25(30)24-19-11-7-4-8-12-22(19)34-26(24)28-23(29)16-33-17-9-5-3-6-10-17/h3,5-6,9-10,13-15H,4,7-8,11-12,16H2,1-2H3,(H,27,30)(H,28,29)
InChIKey
WNFDPEKRTRXYCL-UHFFFAOYSA-N
Synonyms

COC1=CC(=C(C=C1)NC(=O)C2=C(SC3=C2CCCCC3)NC(=O)COC4=CC=CC=C4)OC
COc1ccc(c(c1)OC)NC(=O)c1c(NC(=O)COc2ccccc2)sc2c1CCCCC2
InChI=1SC26H28N2O5Sc13118131420(21(1518)322)2725(30)2419117481222(19)3426(24)2823(29)16331795361017h3569101315H478111216H212H3(H2730)(H2829)
MFCD03236869
N(24dimethoxyphenyl)2((2phenoxyacetyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxamide
N(24dimethoxyphenyl)2((phenoxyacetyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxamide
STK030951
ZINC000000644071
ZINC00644071
ZINC644071

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Available files

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