Vitas-M small molecule compound
2-chloro-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-nitrobenzamide
Catalog ID
STK073391
SMILES Cc1cc(C)c2c(c1)sc(n2)NC(=O)c1cc(ccc1Cl)[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 C16H12ClN3O3S MW 361.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H12ClN3O3S/c1-8-5-9(2)14-13(6-8)24-16(18-14)19-15(21)11-7-10(20(22)23)3-4-12(11)17/h3-7H,1-2H3,(H,18,19,21)InChIKey
RXEMUSQIOPBQOB-UHFFFAOYSA-NSynonyms
2CHLORON(46DIMETHYL13BENZOTHIAZOL2YL)5NITROBENZAMIDE
CC1=CC(=C2C(=C1)SC(=N2)NC(=O)C3=C(C=CC(=C3)(N+)(=O)(O))Cl)C
Cc1cc(C)c2c(c1)sc(n2)NC(=O)c1cc(ccc1Cl)(N+)(=O)(O)
InChI=1SC16H12ClN3O3Sc1859(2)1413(68)2416(1814)1915(21)11710(20(22)23)3412(11)17h37H12H3(H181921)
MFCD01931332
STK073391
ZINC000004599970
ZINC04599970
ZINC4599970
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