Vitas-M small molecule compound

ethyl 2-[(1-benzofuran-2-ylcarbonyl)amino]-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate

Catalog ID
STK760331
SMILES CCOC(=O)c1c(NC(=O)c2oc3c(c2)cccc3)sc2c1CCCCCCCCCC2

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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 C26H31NO4S MW 453.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H31NO4S/c1-2-30-26(29)23-19-14-9-7-5-3-4-6-8-10-16-22(19)32-25(23)27-24(28)21-17-18-13-11-12-15-20(18)31-21/h11-13,15,17H,2-10,14,16H2,1H3,(H,27,28)
InChIKey
FYCGLVQETLTVGW-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(SC2=C1CCCCCCCCCC2)NC(=O)C3=CC4=CC=CC=C4O3
ethyl2((1benzofuran2ylcarbonyl)amino)45678910111213decahydrocyclododeca(b)thiophene3carboxylate
ethyl2(1benzofuran2carbonylamino)45678910111213decahydrocyclododeca(b)thiophene3carboxylate
InChI=1SC26H31NO4Sc123026(29)2319149753468101622(19)3225(23)2724(28)2117181311121520(18)3121h11131517H2101416H21H3(H2728)
MFCD01821471
ZINC000003669026
ZINC03669026
ZINC3669026

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Available files

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