Vitas-M small molecule compound

N-(3,5-dimethylphenyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetamide

Catalog ID
STK140490
SMILES O=C(Nc1cc(C)cc(c1)C)CSc1nc2c(s1)cc(cc2)[N+](=O)[O-]

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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 C17H15N3O3S2 MW 373.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H15N3O3S2/c1-10-5-11(2)7-12(6-10)18-16(21)9-24-17-19-14-4-3-13(20(22)23)8-15(14)25-17/h3-8H,9H2,1-2H3,(H,18,21)
InChIKey
ZZIDUQYNCDFYPF-UHFFFAOYSA-N
Synonyms

CC1=CC(=CC(=C1)NC(=O)CSC2=NC3=C(S2)C=C(C=C3)(N+)(=O)(O))C
InChI=1SC17H15N3O3S2c110511(2)712(610)1816(21)9241719144313(20(22)23)815(14)2517h38H9H212H3(H1821)
MFCD03876613
N(35DIMETHYLPHENYL)2((6NITRO13BENZOTHIAZOL2YL)SULFANYL)ACETAMIDE
O=C(Nc1cc(C)cc(c1)C)CSc1nc2c(s1)cc(cc2)(N+)(=O)(O)
ZINC000004682096
ZINC04682096
ZINC4682096

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Available files

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