Vitas-M small molecule compound
4a-hydroxy-1,7,7-trimethyl-9-oxo-2,3,4,4a,6,7,8,9,10,10a-decahydro-1H-1,4-ethanochromeno[3,2-b]pyridin-1-ium
Catalog ID
STL048577
SMILES O=C1CC(C)(C)CC2=C1CC1[N+]3(C)CCC(C1(O2)O)CC3
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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 C17H26NO3 MW 292.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H26NO3/c1-16(2)9-13(19)12-8-15-17(20,21-14(12)10-16)11-4-6-18(15,3)7-5-11/h11,15,20H,4-10H2,1-3H3/q+1InChIKey
IBNCOQGTIBFHBE-UHFFFAOYSA-NSynonyms
4ahydroxy177trimethyl9oxo2344a67891010adecahydro1H14ethanochromeno(32b)pyridin1ium
4ahydroxy177trimethyl9oxo2344a67891010adecahydro1H14ethanochromeno(32b)pyridin1iumiodide
CC1(CC2=C(CC3C(O2)(C4CC(N+)3(CC4)C)O)C(=O)C1)C
InChI=1SC17H26NO3c116(2)913(19)1281517(202114(12)1016)114618(153)7511h111520H410H213H3q+1
O=C1CC(C)(C)CC2=C1CC1(N+)3(C)CCC(C1(O2)O)CC3
O=C1CC(C)(C)CC2=C1CC1(N+)3(C)CCC(C1(O2)O)CC3(I)
ZINC000000542665
ZINC000000542668
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