Vitas-M small molecule compound

2-[(5-tert-butyl-2-methoxyphenyl)sulfonyl]-1,2,3,4-tetrahydroisoquinoline

Catalog ID
STK353910
SMILES COc1ccc(cc1S(=O)(=O)N1CCc2c(C1)cccc2)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 C20H25NO3S MW 359.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H25NO3S/c1-20(2,3)17-9-10-18(24-4)19(13-17)25(22,23)21-12-11-15-7-5-6-8-16(15)14-21/h5-10,13H,11-12,14H2,1-4H3
InChIKey
WAVTWJUPYXYKDG-UHFFFAOYSA-N
Synonyms
893775-91-2
2((5tertbutyl2methoxyphenyl)sulfonyl)1234tetrahydroisoquinoline
2(5TERTBUTYL2METHOXYPHENYL)SULFONYL34DIHYDRO1HISOQUINOLINE
893775912
CC(C)(C)C1=CC(=C(C=C1)OC)S(=O)(=O)N2CCC3=CC=CC=C3C2
InChI=1SC20H25NO3Sc120(23)1791018(244)19(1317)25(2223)21121115756816(15)1421h51013H111214H214H3
MFCD07800739
ZINC000006667896
ZINC06667896
ZINC6667896

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Available files

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