Vitas-M small molecule compound

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

Catalog ID
STL287119
SMILES CN(CCCNC1=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 C12H16N4O4S MW 312.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H16N4O4S/c1-15(2)7-3-6-13-12-10-5-4-9(16(17)18)8-11(10)21(19,20)14-12/h4-5,8H,3,6-7H2,1-2H3,(H,13,14)
InChIKey
REHGUCZZENCCSX-UHFFFAOYSA-N
Synonyms

CN(C)CCCNC1=NS(=O)(=O)C2=C1C=CC(=C2)(N+)(=O)(O)
CN(CCCNC1=NS(=O)(=O)c2c1ccc(c2)(N+)(=O)(O))C
InChI=1SC12H16N4O4Sc115(2)736131210549(16(17)18)811(10)21(1920)1412h458H367H212H3(H1314)
MFCD24847402
NNdimethylN(6nitro11dioxido12benzothiazol3yl)propane13diamine
NNdimethylN(6nitro11dioxo12benzothiazol3yl)propane13diamine
ZINC000095481799
ZINC95481799

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Available files

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