Vitas-M small molecule compound
4,5-dimethoxy-2-nitro-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide
Catalog ID
STK072559
SMILES COc1cc(C(=O)Nc2nc3c(s2)cc(cc3)[N+](=O)[O-])c(cc1OC)[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 C16H12N4O7S MW 404.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H12N4O7S/c1-26-12-6-9(11(20(24)25)7-13(12)27-2)15(21)18-16-17-10-4-3-8(19(22)23)5-14(10)28-16/h3-7H,1-2H3,(H,17,18,21)InChIKey
AVAMKYZBZWNDTL-UHFFFAOYSA-NSynonyms
349133-05-7(45DIMETHOXY2NITROPHENYL)N(6NITROBENZOTHIAZOL2YL)CARBOXAMIDE
349133057
45DIMETHOXY2NITRON(6NITRO13BENZOTHIAZOL2YL)BENZAMIDE
45DIMETHOXY2NITRON(6NITROBENZO(D)THIAZOL2YL)BENZAMIDE
COC1=C(C=C(C(=C1)C(=O)NC2=NC3=C(S2)C=C(C=C3)(N+)(=O)(O))(N+)(=O)(O))OC
COc1cc(C(=O)Nc2nc3c(s2)cc(cc3)(N+)(=O)(O))c(cc1OC)(N+)(=O)(O)
InChI=1SC16H12N4O7Sc1261269(11(20(24)25)713(12)272)15(21)18161710438(19(22)23)514(10)2816h37H12H3(H171821)
MFCD02006459
STK072559
ZINC000009659399
ZINC09659399
ZINC9659399
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