Vitas-M small molecule compound
(3aS)-2,2-dimethyl-1-(prop-2-en-1-yl)-2,3,3a,4-tetrahydro-1H-benzo[f]isoindolium
Catalog ID
STL552676
SMILES C=CCC1C2=Cc3ccccc3C[C@@H]2C[N+]1(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 C17H22N MW 240.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H22N/c1-4-7-17-16-11-14-9-6-5-8-13(14)10-15(16)12-18(17,2)3/h4-6,8-9,11,15,17H,1,7,10,12H2,2-3H3/q+1/t15-,17?/m1/s1InChIKey
QEKZATWGRSVZMZ-LDCVWXEPSA-NSynonyms
(3aS)1allyl22dimethyl233a4tetrahydro1Hbenzo(f)isoindol2iumbromide
(3aS)22dimethyl1(prop2en1yl)233a4tetrahydro1Hbenzo(f)isoindolium
(9~(a)~(S))22dimethyl3prop2enyl1399~(a)tetrahydrobenzo(f)isoindol2ium
16395021
C=CCC1C2=Cc3ccccc3C(C@@H)2C(N+)1(C)C(Br)
InChI=1SC17H22Nc14717161114965813(14)1015(16)1218(172)3h4689111517H171012H223H3q+1t1517?m1s1
ZINC000001322325
ZINC000001322326
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