Vitas-M small molecule compound
3-(benzyloxy)-4,6-dinitro-1,2-benzothiazole
Catalog ID
STK757450
SMILES [O-][N+](=O)c1cc(cc2c1c(OCc1ccccc1)ns2)[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 C14H9N3O5S MW 331.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H9N3O5S/c18-16(19)10-6-11(17(20)21)13-12(7-10)23-15-14(13)22-8-9-4-2-1-3-5-9/h1-7H,8H2InChIKey
BAEFCAFOBAAYQA-UHFFFAOYSA-NSynonyms
(O)(N+)(=O)c1cc(cc2c1c(OCc1ccccc1)ns2)(N+)(=O)(O)
3(BENZYLOXY)46DINITRO12BENZISOTHIAZOLE
3(benzyloxy)46dinitro12benzothiazole
46DINITRO3(PHENYLMETHOXY)BENZO(D)ISOTHIAZOLE
46DINITRO3PHENYLMETHOXY12BENZOTHIAZOLE
C1=CC=C(C=C1)COC2=NSC3=CC(=CC(=C32)(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC14H9N3O5Sc1816(19)10611(17(20)21)1312(710)231514(13)2289421359h17H8H2
MFCD01305941
ZINC000003664964
ZINC03664964
ZINC3664964
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