Vitas-M small molecule compound
1-({2-[2-(4-tert-butylphenyl)ethyl]-1,3-dioxolan-4-yl}methyl)-1-methylpyrrolidinium
Catalog ID
STK005925
SMILES C[N+]1(CCCC1)CC1COC(O1)CCc1ccc(cc1)C(C)(C)C
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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 C21H34NO2 MW 332.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H34NO2/c1-21(2,3)18-10-7-17(8-11-18)9-12-20-23-16-19(24-20)15-22(4)13-5-6-14-22/h7-8,10-11,19-20H,5-6,9,12-16H2,1-4H3/q+1InChIKey
KHXWWYCKNCJMQT-UHFFFAOYSA-NSynonyms
1((2(2(4TERTBUTYLPHENYL)ETHYL)13DIOXOLAN4YL)METHYL)1METHYLPYRROLIDIN1IUM
1((2(2(4TERTBUTYLPHENYL)ETHYL)13DIOXOLAN4YL)METHYL)1METHYLPYRROLIDINIUM
1((2(4(tertbutyl)phenethyl)13dioxolan4yl)methyl)1methylpyrrolidin1iumiodide
C(N+)1(CCCC1)CC1COC(O1)CCc1ccc(cc1)C(C)(C)C
C(N+)1(CCCC1)CC1COC(O1)CCc1ccc(cc1)C(C)(C)C(I)
CC(C)(C)C1=CC=C(C=C1)CCC2OCC(O2)C(N+)3(CCCC3)C
InChI=1SC21H34NO2c121(23)1810717(81118)91220231619(2420)1522(4)13561422h7810111920H5691216H214H3q+1
MFCD03292302
STK005925
ZINC000000536307
ZINC000000536310
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