Vitas-M small molecule compound
(3aS,3a1S,5aR,10bR,14R)-5-(methoxycarbonyl)-13,14-dimethyl-1,2,3,3a1,4,5,6,11,12,13-decahydro-3a,5a-methanoindolizino[8,1-cd]carbazol-13-ium iodide
Catalog ID
STK000256
SMILES COC(=O)C1C[C@@]23C([C@@]41Nc1c(C54C3[N+](CC5)(CCC2)C)cccc1)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 C22H29N2O2 MW 353.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H29N2O2/c1-14-20-9-6-11-24(2)12-10-21(19(20)24)15-7-4-5-8-17(15)23-22(14,21)16(13-20)18(25)26-3/h4-5,7-8,14,16,19,23H,6,9-13H2,1-3H3/q+1/t14?,16?,19?,20-,21?,22+,24?/m1/s1InChIKey
GADHYTDTGWDBMW-CUNPAJCHSA-NSynonyms
(3aS3a1S5S5aR10bR14R)5(methoxycarbonyl)1314dimethyl1233a1456111213decahydro3a5amethanoindolizino(81cd)carbazol13iumchloride
CC1C23CCC(N+)4(C2C5(C1(C(C3)C(=O)OC)NC6=CC=CC=C65)CC4)C
COC(=O)C1C(C@)23(C@H)((C@)41Nc1c((C@@)54(C@H)3(N+)(CC5)(CCC2)C)cccc1)C(Cl)
COC(=O)C1C(C@@)23C((C@@)41Nc1c(C54C3(N+)(CC5)(CCC2)C)cccc1)C
InChI=1SC22H29N2O2c11420961124(2)121021(19(20)24)15745817(15)2322(1421)16(1320)18(25)263h457814161923H6913H213H3q+1t14?16?19?2021?22+24?m1s1
STK000256
ZINC000239046952
ZINC000239046960
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