Vitas-M small molecule compound
3-methyl-N-[6-(methylsulfonyl)-1,3-benzothiazol-2-yl]-2-nitrobenzamide
Catalog ID
STK023915
SMILES O=C(c1cccc(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/c1-9-4-3-5-11(14(9)19(21)22)15(20)18-16-17-12-7-6-10(26(2,23)24)8-13(12)25-16/h3-8H,1-2H3,(H,17,18,20)InChIKey
MXITWMCUEWXPPD-UHFFFAOYSA-NSynonyms
587846-44-4(3METHYL2NITROPHENYL)N(6(METHYLSULFONYL)BENZOTHIAZOL2YL)CARBOXAMIDE
3METHYLN(6(METHYLSULFONYL)13BENZOTHIAZOL2YL)2NITROBENZAMIDE
3METHYLN(6METHYLSULFONYL13BENZOTHIAZOL2YL)2NITROBENZAMIDE
587846444
CC1=CC=CC(=C1(N+)(=O)(O))C(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C
InChI=1SC16H13N3O5S2c1943511(14(9)19(21)22)15(20)181617127610(26(223)24)813(12)2516h38H12H3(H171820)
MFCD03639497
O=C(c1cccc(c1(N+)(=O)(O))C)Nc1nc2c(s1)cc(cc2)S(=O)(=O)C
STK023915
ZINC000002829353
ZINC02829353
ZINC2829353
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