Vitas-M small molecule compound
N-[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]-2-methyl-3-nitrobenzamide
Catalog ID
STK294474
SMILES COc1ccc(cc1NC(=O)c1cccc(c1C)[N+](=O)[O-])c1nc2c(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 C22H17N3O4S MW 419.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17N3O4S/c1-13-15(6-5-8-18(13)25(27)28)21(26)23-17-12-14(10-11-19(17)29-2)22-24-16-7-3-4-9-20(16)30-22/h3-12H,1-2H3,(H,23,26)InChIKey
PJAGZLHVGCNMPZ-UHFFFAOYSA-NSynonyms
CC1=C(C=CC=C1(N+)(=O)(O))C(=O)NC2=C(C=CC(=C2)C3=NC4=CC=CC=C4S3)OC
COc1ccc(cc1NC(=O)c1cccc(c1C)(N+)(=O)(O))c1nc2c(s1)cccc2
InChI=1SC22H17N3O4Sc11315(65818(13)25(27)28)21(26)23171214(101119(17)292)222416734920(16)3022h312H12H3(H2326)
MFCD05850223
N(5(13benzothiazol2yl)2methoxyphenyl)2methyl3nitrobenzamide
ZINC000008590617
ZINC08590617
ZINC8590617
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