Vitas-M small molecule compound
3-(5,5-dimethyl-1,3-dioxo-1,3,3a,4,5,6,7,8,9,9a-decahydro-2H-benzo[f]isoindol-2-yl)-N,N,N-trimethylpropan-1-aminium
Catalog ID
STL300899
SMILES O=C1N(CCC[N+](C)(C)C)C(=O)C2C1CC1=C(C2)CCCC1(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 C20H33N2O2 MW 333.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H33N2O2/c1-20(2)9-6-8-14-12-15-16(13-17(14)20)19(24)21(18(15)23)10-7-11-22(3,4)5/h15-16H,6-13H2,1-5H3/q+1InChIKey
JARWJTFCBSGCBH-UHFFFAOYSA-NSynonyms
3(55dimethyl13dioxo133a4567899adecahydro2Hbenzo(f)isoindol2yl)NNNtrimethylpropan1aminium
3(55dimethyl13dioxo467899ahexahydro3aHbenzo(f)isoindol2yl)propyltrimethylazanium
CC1(CCCC2=C1CC3C(C2)C(=O)N(C3=O)CCC(N+)(C)(C)C)C
InChI=1SC20H33N2O2c120(2)96814121516(1317(14)20)19(24)21(18(15)23)1071122(34)5h1516H613H215H3q+1
MFCD02998733
O=C1N(CCC(N+)(C)(C)C)C(=O)C2C1CC1=C(C2)CCCC1(C)C
ZINC000000550242
ZINC000100799072
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