Vitas-M small molecule compound

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

Catalog ID
STK254819
SMILES COc1ccc(cc1[N+](=O)[O-])C(=O)Nc1ccccc1c1nc2c(s1)cccc2

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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 C21H15N3O4S MW 405.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H15N3O4S/c1-28-18-11-10-13(12-17(18)24(26)27)20(25)22-15-7-3-2-6-14(15)21-23-16-8-4-5-9-19(16)29-21/h2-12H,1H3,(H,22,25)
InChIKey
PMLGKBUNCGGCSD-UHFFFAOYSA-N
Synonyms

COC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2C3=NC4=CC=CC=C4S3)(N+)(=O)(O)
COc1ccc(cc1(N+)(=O)(O))C(=O)Nc1ccccc1c1nc2c(s1)cccc2
InChI=1SC21H15N3O4Sc12818111013(1217(18)24(26)27)20(25)2215732614(15)212316845919(16)2921h212H1H3(H2225)
MFCD03908528
N(2(13benzothiazol2yl)phenyl)4methoxy3nitrobenzamide
ZINC000001119539
ZINC01119539
ZINC1119539

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Available files

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