Vitas-M small molecule compound
3-[(4-methylphenyl)sulfonyl]-5-nitro-1,3,7-triazabicyclo[3.3.1]nonane
Catalog ID
STL326500
SMILES Cc1ccc(cc1)S(=O)(=O)N1CN2CNCC(C1)(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 C13H18N4O4S MW 326.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H18N4O4S/c1-11-2-4-12(5-3-11)22(20,21)16-8-13(17(18)19)6-14-9-15(7-13)10-16/h2-5,14H,6-10H2,1H3InChIKey
HNDLXUFKOSZLOB-UHFFFAOYSA-NSynonyms
306740-21-6(1R5S)5nitro3tosyl137triazabicyclo(331)nonane
3((4methylphenyl)sulfonyl)5nitro137triazabicyclo(331)nonane
3(4METHYLPHENYL)SULFONYL5NITRO137TRIAZABICYCLO(331)NONANE
306740216
CC1=CC=C(C=C1)S(=O)(=O)N2CC3(CNCN(C3)C2)(N+)(=O)(O)
Cc1ccc(cc1)S(=O)(=O)N1CN2CNCC(C1)(C2)(N+)(=O)(O)
InChI=1SC13H18N4O4Sc1112412(5311)22(2021)16813(17(18)19)614915(713)1016h2514H610H21H3
MFCD01878589
ZINC000019325839
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