Vitas-M small molecule compound

N-{2-[(4-methylbenzyl)sulfanyl]ethyl}-2-nitrobenzenesulfonamide

Catalog ID
STL136997
SMILES Cc1ccc(cc1)CSCCNS(=O)(=O)c1ccccc1[N+](=O)[O-]

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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 C16H18N2O4S2 MW 366.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H18N2O4S2/c1-13-6-8-14(9-7-13)12-23-11-10-17-24(21,22)16-5-3-2-4-15(16)18(19)20/h2-9,17H,10-12H2,1H3
InChIKey
UCACBPOXBIOXAT-UHFFFAOYSA-N
Synonyms

CC1=CC=C(C=C1)CSCCNS(=O)(=O)C2=CC=CC=C2(N+)(=O)(O)
Cc1ccc(cc1)CSCCNS(=O)(=O)c1ccccc1(N+)(=O)(O)
InChI=1SC16H18N2O4S2c1136814(9713)122311101724(2122)16532415(16)18(19)20h2917H1012H21H3
MFCD04208380
N(2((4methylbenzyl)sulfanyl)ethyl)2nitrobenzenesulfonamide
N(2((4METHYLPHENYL)METHYLSULFANYL)ETHYL)2NITROBENZENESULFONAMIDE
ZINC000002982088
ZINC02982088
ZINC2982088

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Available files

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