Vitas-M small molecule compound

ethyl 2-({[4-methoxy-2-methyl-5-(propan-2-yl)phenyl]sulfonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Catalog ID
STK271927
SMILES CCOC(=O)c1c(sc2c1CCCC2)NS(=O)(=O)c1cc(C(C)C)c(cc1C)OC

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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 C22H29NO5S2 MW 451.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H29NO5S2/c1-6-28-22(24)20-15-9-7-8-10-18(15)29-21(20)23-30(25,26)19-12-16(13(2)3)17(27-5)11-14(19)4/h11-13,23H,6-10H2,1-5H3
InChIKey
IQKQDTUBMGUPTI-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(SC2=C1CCCC2)NS(=O)(=O)C3=CC(=C(C=C3C)OC)C(C)C
ethyl2(((4methoxy2methyl5(propan2yl)phenyl)sulfonyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl2((4methoxy2methyl5propan2ylphenyl)sulfonylamino)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC22H29NO5S2c162822(24)20159781018(15)2921(20)2330(2526)191216(13(2)3)17(275)1114(19)4h111323H610H215H3
MFCD08582949
ZINC000009526084
ZINC09526084
ZINC9526084

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Available files

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