Vitas-M small molecule compound

pentyl 2,6-dimethyl-5-[(thiophen-2-ylsulfonyl)amino]-1-benzofuran-3-carboxylate

Catalog ID
STK229912
SMILES CCCCCOC(=O)c1c(C)oc2c1cc(NS(=O)(=O)c1cccs1)c(c2)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 C20H23NO5S2 MW 421.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23NO5S2/c1-4-5-6-9-25-20(22)19-14(3)26-17-11-13(2)16(12-15(17)19)21-28(23,24)18-8-7-10-27-18/h7-8,10-12,21H,4-6,9H2,1-3H3
InChIKey
CFRXLZALYXIRTF-UHFFFAOYSA-N
Synonyms

CCCCCOC(=O)C1=C(OC2=CC(=C(C=C21)NS(=O)(=O)C3=CC=CS3)C)C
InChI=1SC20H23NO5S2c145692520(22)1914(3)26171113(2)16(1215(17)19)2128(2324)1887102718h78101221H469H213H3
MFCD08162456
pentyl26dimethyl5((thiophen2ylsulfonyl)amino)1benzofuran3carboxylate
PENTYL26DIMETHYL5(THIOPHEN2YLSULFONYLAMINO)1BENZOFURAN3CARBOXYLATE
ZINC000004735748
ZINC04735748
ZINC4735748

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Available files

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