Vitas-M small molecule compound

2-[(4-methyl-3-nitrophenyl)sulfonyl]-1,2,3,4-tetrahydroisoquinoline

Catalog ID
STK097545
SMILES [O-][N+](=O)c1cc(ccc1C)S(=O)(=O)N1CCc2c(C1)cccc2

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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 C16H16N2O4S MW 332.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H16N2O4S/c1-12-6-7-15(10-16(12)18(19)20)23(21,22)17-9-8-13-4-2-3-5-14(13)11-17/h2-7,10H,8-9,11H2,1H3
InChIKey
YRAZZPNCMCWSJL-UHFFFAOYSA-N
Synonyms
313981-54-3
(O)(N+)(=O)c1cc(ccc1C)S(=O)(=O)N1CCc2c(C1)cccc2
2((4methyl3nitrophenyl)sulfonyl)1234tetrahydroisoquinoline
2(4METHYL3NITROPHENYL)SULFONYL34DIHYDRO1HISOQUINOLINE
313981543
CC1=C(C=C(C=C1)S(=O)(=O)N2CCC3=CC=CC=C3C2)(N+)(=O)(O)
InChI=1SC16H16N2O4Sc1126715(1016(12)18(19)20)23(2122)179813423514(13)1117h2710H8911H21H3
MFCD00784361
STK097545
ZINC000004020788
ZINC04020788
ZINC4020788

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Available files

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