Vitas-M small molecule compound

N-(2,4-dimethylpentan-3-yl)-4-methyl-3-nitrobenzenesulfonamide

Catalog ID
STL137250
SMILES CC(C(C(C)C)NS(=O)(=O)c1ccc(c(c1)[N+](=O)[O-])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 C14H22N2O4S MW 314.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H22N2O4S/c1-9(2)14(10(3)4)15-21(19,20)12-7-6-11(5)13(8-12)16(17)18/h6-10,14-15H,1-5H3
InChIKey
ACHNOKPVJRROBN-UHFFFAOYSA-N
Synonyms

(2METHYL1(METHYLETHYL)PROPYL)((4METHYL3NITROPHENYL)SULFONYL)AMINE
CC(C(C(C)C)NS(=O)(=O)c1ccc(c(c1)(N+)(=O)(O))C)C
CC1=C(C=C(C=C1)S(=O)(=O)NC(C(C)C)C(C)C)(N+)(=O)(O)
InChI=1SC14H22N2O4Sc19(2)14(10(3)4)1521(1920)127611(5)13(812)16(17)18h6101415H15H3
MFCD03014330
N(24dimethylpentan3yl)4methyl3nitrobenzenesulfonamide
ZINC000004702160
ZINC04702160
ZINC4702160

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Available files

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