Vitas-M small molecule compound

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

Catalog ID
STK046937
SMILES O=C(c1ccc(c(c1)[N+](=O)[O-])C)Nc1nc2c(s1)cc(cc2)S(=O)(=O)C

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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 C16H13N3O5S2 MW 391.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13N3O5S2/c1-9-3-4-10(7-13(9)19(21)22)15(20)18-16-17-12-6-5-11(26(2,23)24)8-14(12)25-16/h3-8H,1-2H3,(H,17,18,20)
InChIKey
KYVTXMDVSWYSDX-UHFFFAOYSA-N
Synonyms
349616-75-7
(4METHYL3NITROPHENYL)N(6(METHYLSULFONYL)BENZOTHIAZOL2YL)CARBOXAMIDE
4METHYLN((2E)6(METHYLSULFONYL)13BENZOTHIAZOL2(3H)YLIDENE)3NITROBENZAMIDE
4METHYLN(6(METHYLSULFONYL)13BENZOTHIAZOL2YL)3NITROBENZAMIDE
4methylN(6(methylsulfonyl)benzo(d)thiazol2yl)3nitrobenzamide
4METHYLN(6METHYLSULFONYL13BENZOTHIAZOL2YL)3NITROBENZAMIDE
CC1=C(C=C(C=C1)C(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C)(N+)(=O)(O)
InChI=1SC16H13N3O5S2c193410(713(9)19(21)22)15(20)181617126511(26(223)24)814(12)2516h38H12H3(H171820)
MFCD02861749
O=C(c1ccc(c(c1)(N+)(=O)(O))C)Nc1nc2c(s1)cc(cc2)S(=O)(=O)C
STK046937
ZINC000009109383
ZINC09109383
ZINC9109383

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Available files

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