Vitas-M small molecule compound

3-methyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4-nitrobenzamide

Catalog ID
STK046268
SMILES Cc1ccc2c(c1)sc(n2)c1ccc(cc1)NC(=O)c1ccc(c(c1)C)[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 C22H17N3O3S MW 403.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17N3O3S/c1-13-3-9-18-20(11-13)29-22(24-18)15-4-7-17(8-5-15)23-21(26)16-6-10-19(25(27)28)14(2)12-16/h3-12H,1-2H3,(H,23,26)
InChIKey
UOGBYEZONKYUBZ-UHFFFAOYSA-N
Synonyms
325856-12-0
325856120
3METHYLN(4(6METHYL13BENZOTHIAZOL2YL)PHENYL)4NITROBENZAMIDE
3METHYLN(4(6METHYLBENZOTHIAZOL2YL)PHENYL)
3METHYLN(4(6METHYLBENZOTHIAZOL2YL)PHENYL)4NITROBENZAMIDE
4NITRO3METHYLN(4(6METHYL13BENZOTHIAZOL2YL)PHENYL)BENZAMIDE
CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)C4=CC(=C(C=C4)(N+)(=O)(O))C
Cc1ccc2c(c1)sc(n2)c1ccc(cc1)NC(=O)c1ccc(c(c1)C)(N+)(=O)(O)
InChI=1SC22H17N3O3Sc113391820(1113)2922(2418)154717(8515)2321(26)1661019(25(27)28)14(2)1216h312H12H3(H2326)
MFCD00702407
N(4(6METHYLBENZOTHIAZOL2YL)PHENYL)(3METHYL4NITROPHENYL)CARBOXAMIDE
STK046268
ZINC000000677019
ZINC00677019
ZINC677019

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Available files

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