Vitas-M small molecule compound

2-[(3,4-dimethyl-5-nitrophenyl)sulfonyl]-1,2,3,4-tetrahydroisoquinoline

Catalog ID
STK353924
SMILES Cc1cc(cc(c1C)[N+](=O)[O-])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 C17H18N2O4S MW 346.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H18N2O4S/c1-12-9-16(10-17(13(12)2)19(20)21)24(22,23)18-8-7-14-5-3-4-6-15(14)11-18/h3-6,9-10H,7-8,11H2,1-2H3
InChIKey
GMKRRNQXYSRDGU-UHFFFAOYSA-N
Synonyms
853902-85-9
2((34dimethyl5nitrophenyl)sulfonyl)1234tetrahydroisoquinoline
2(34DIMETHYL5NITROPHENYL)SULFONYL34DIHYDRO1HISOQUINOLINE
853902859
CC1=CC(=CC(=C1C)(N+)(=O)(O))S(=O)(=O)N2CCC3=CC=CC=C3C2
Cc1cc(cc(c1C)(N+)(=O)(O))S(=O)(=O)N1CCc2c(C1)cccc2
InChI=1SC17H18N2O4Sc112916(1017(13(12)2)19(20)21)24(2223)188714534615(14)1118h36910H7811H212H3
MFCD06763233
ZINC000004744871
ZINC04744871
ZINC4744871

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Available files

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