Vitas-M small molecule compound

3-nitro-N,N-di(propan-2-yl)benzenesulfonamide

Catalog ID
STK125825
SMILES CC(N(S(=O)(=O)c1cccc(c1)[N+](=O)[O-])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 C12H18N2O4S MW 286.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H18N2O4S/c1-9(2)13(10(3)4)19(17,18)12-7-5-6-11(8-12)14(15)16/h5-10H,1-4H3
InChIKey
XAZHGHKHQUDNRF-UHFFFAOYSA-N
Synonyms
89840-77-7
3NITRONNDI(PROPAN2YL)BENZENESULFONAMIDE
89840777
BENZENESULFONAMIDENNBIS(1METHYLETHYL)3NITRO
CC(C)N(C(C)C)S(=O)(=O)C1=CC=CC(=C1)(N+)(=O)(O)
CC(N(S(=O)(=O)c1cccc(c1)(N+)(=O)(O))C(C)C)C
InChI=1SC12H18N2O4Sc19(2)13(10(3)4)19(1718)1275611(812)14(15)16h510H14H3
MFCD01985505
NNDIISOPROPYL3NITROBENZENESULFONAMIDE
ZINC000004700003
ZINC04700003
ZINC4700003

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Available files

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