Vitas-M small molecule compound

N,N-dimethyl-N'-(6-nitro-1,1-dioxido-1,2-benzothiazol-3-yl)ethane-1,2-diamine

Catalog ID
STL287143
SMILES CN(CCNC1=NS(=O)(=O)c2c1ccc(c2)[N+](=O)[O-])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 C11H14N4O4S MW 298.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C11H14N4O4S/c1-14(2)6-5-12-11-9-4-3-8(15(16)17)7-10(9)20(18,19)13-11/h3-4,7H,5-6H2,1-2H3,(H,12,13)
InChIKey
LHPUZFNGOUELQI-UHFFFAOYSA-N
Synonyms

CN(C)CCNC1=NS(=O)(=O)C2=C1C=CC(=C2)(N+)(=O)(O)
CN(CCNC1=NS(=O)(=O)c2c1ccc(c2)(N+)(=O)(O))C
InChI=1SC11H14N4O4Sc114(2)6512119438(15(16)17)710(9)20(1819)1311h347H56H212H3(H1213)
MFCD24847409
NNdimethylN(6nitro11dioxido12benzothiazol3yl)ethane12diamine
NNdimethylN(6nitro11dioxo12benzothiazol3yl)ethane12diamine
ZINC000095481810
ZINC95481810

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Available files

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