Vitas-M small molecule compound
dimethyl 4,6-dinitro-1,3-benzothiazole-2,3(2H)-dicarboxylate 1,1-dioxide
Catalog ID
STK761540
SMILES COC(=O)N1c2c(cc(cc2S(=O)(=O)C1C(=O)OC)[N+](=O)[O-])[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 C11H9N3O10S MW 375.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C11H9N3O10S/c1-23-10(15)9-12(11(16)24-2)8-6(14(19)20)3-5(13(17)18)4-7(8)25(9,21)22/h3-4,9H,1-2H3InChIKey
ACFLFOHSCOTJNS-UHFFFAOYSA-NSynonyms
23BIS(METHOXYCARBONYL)46DINITRO23DIHYDROBENZOTHIAZOLE11DIOXIDE
COC(=O)C1N(C2=C(C=C(C=C2S1(=O)=O)(N+)(=O)(O))(N+)(=O)(O))C(=O)OC
COC(=O)N1c2c(cc(cc2S(=O)(=O)C1C(=O)OC)(N+)(=O)(O))(N+)(=O)(O)
DIMETHYL46DINITRO11DIOXO2H13BENZOTHIAZOLE23DICARBOXYLATE
dimethyl46dinitro13benzothiazole23(2H)dicarboxylate11dioxide
InChI=1SC11H9N3O10Sc12310(15)912(11(16)242)86(14(19)20)35(13(17)18)47(8)25(921)22h349H12H3
MFCD02110238
ZINC000008854711
ZINC000012417563
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