Vitas-M small molecule compound
6,6,9-trimethyl-8-oxo-2,3,5,6,7,8-hexahydro-1H-pyrazolo[1,2-a]indazol-10-ium
Catalog ID
STL328836
SMILES O=C1CC(C)(C)Cc2c1c(C)[n+]1n2CCC1
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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 C13H19N2O MW 219.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H19N2O/c1-9-12-10(15-6-4-5-14(9)15)7-13(2,3)8-11(12)16/h4-8H2,1-3H3/q+1InChIKey
BXGQVZVRZFQHCI-UHFFFAOYSA-NSynonyms
588trimethyl2379tetrahydro1Hpyrazolo(12a)indazol10ium6one
669trimethyl8oxo235678hexahydro1Hpyrazolo(12a)indazol10ium
669trimethyl8oxo235678hexahydro1Hpyrazolo(12a)indazol10iumbromide
CC1=C2C(=(N+)3N1CCC3)CC(CC2=O)(C)C
InChI=1SC13H19N2Oc191210(1564514(9)15)713(23)811(12)16h48H213H3q+1
MFCD01083954
O=C1CC(C)(C)Cc2c1c(C)(n+)1n2CCC1
O=C1CC(C)(C)Cc2c1c(C)(n+)1n2CCC1(Br)
ZINC000012410243
ZINC12410243
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