Vitas-M small molecule compound

methyl 2-tert-butyl-6-methyl-5-[(phenylsulfonyl)amino]-1-benzofuran-3-carboxylate

Catalog ID
STK230040
SMILES COC(=O)c1c2cc(NS(=O)(=O)c3ccccc3)c(cc2oc1C(C)(C)C)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 C21H23NO5S MW 401.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23NO5S/c1-13-11-17-15(18(20(23)26-5)19(27-17)21(2,3)4)12-16(13)22-28(24,25)14-9-7-6-8-10-14/h6-12,22H,1-5H3
InChIKey
HEFDYTXIVBIVBG-UHFFFAOYSA-N
Synonyms

CC1=C(C=C2C(=C1)OC(=C2C(=O)OC)C(C)(C)C)NS(=O)(=O)C3=CC=CC=C3
InChI=1SC21H23NO5Sc113111715(18(20(23)265)19(2717)21(23)4)1216(13)2228(2425)1497681014h61222H15H3
methyl2tertbutyl6methyl5((phenylsulfonyl)amino)1benzofuran3carboxylate
METHYL5(BENZENESULFONAMIDO)2TERTBUTYL6METHYL1BENZOFURAN3CARBOXYLATE
MFCD07330324
ZINC000004735822
ZINC04735822
ZINC4735822

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Available files

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