Vitas-M small molecule compound

2-ethyl-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide

Catalog ID
STK417619
SMILES CCC(C(=O)Nc1nc2c(s1)cc(cc2)[N+](=O)[O-])CC

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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 C13H15N3O3S MW 293.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H15N3O3S/c1-3-8(4-2)12(17)15-13-14-10-6-5-9(16(18)19)7-11(10)20-13/h5-8H,3-4H2,1-2H3,(H,14,15,17)
InChIKey
XESSNEKCSGKPOG-UHFFFAOYSA-N
Synonyms

2ethylN(6nitro13benzothiazol2yl)butanamide
2ETHYLN(6NITROBENZOTHIAZOL2YL)BUTANAMIDE
CCC(C(=O)Nc1nc2c(s1)cc(cc2)(N+)(=O)(O))CC
CCC(CC)C(=O)NC1=NC2=C(S1)C=C(C=C2)(N+)(=O)(O)
InChI=1SC13H15N3O3Sc138(42)12(17)15131410659(16(18)19)711(10)2013h58H34H212H3(H141517)
MFCD03395797
ZINC000000475572
ZINC00475572
ZINC475572

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Available files

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