Vitas-M small molecule compound
methyl 3-nitro-5-[(6-nitro-1,3-benzothiazol-2-yl)carbamoyl]benzoate
Catalog ID
STL260221
SMILES COC(=O)c1cc(cc(c1)[N+](=O)[O-])C(=O)Nc1sc2c(n1)ccc(c2)[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 C16H10N4O7S MW 402.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H10N4O7S/c1-27-15(22)9-4-8(5-11(6-9)20(25)26)14(21)18-16-17-12-3-2-10(19(23)24)7-13(12)28-16/h2-7H,1H3,(H,17,18,21)InChIKey
JLBWRTMSQPRJQZ-UHFFFAOYSA-NSynonyms
349133-02-4349133024
COC(=O)C1=CC(=CC(=C1)C(=O)NC2=NC3=C(S2)C=C(C=C3)(N+)(=O)(O))(N+)(=O)(O)
COC(=O)c1cc(cc(c1)(N+)(=O)(O))C(=O)Nc1sc2c(n1)ccc(c2)(N+)(=O)(O)
InChI=1SC16H10N4O7Sc12715(22)948(511(69)20(25)26)14(21)181617123210(19(23)24)713(12)2816h27H1H3(H171821)
methyl3nitro5((6nitro13benzothiazol2yl)carbamoyl)benzoate
METHYL5NITRO3(N(6NITROBENZOTHIAZOL2YL)CARBAMOYL)BENZOATE
MFCD02006456
ZINC000017082329
ZINC17082329
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