Vitas-M small molecule compound
4-(2-chlorobenzyl)-4-[4-(9-hydroxy-9H-fluoren-9-yl)but-2-yn-1-yl]morpholin-4-ium
Catalog ID
STK729165
SMILES Clc1ccccc1C[N+]1(CCOCC1)CC#CCC1(O)c2ccccc2c2c1cccc2
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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 C28H27ClNO2 MW 444.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27ClNO2/c29-27-14-6-1-9-22(27)21-30(17-19-32-20-18-30)16-8-7-15-28(31)25-12-4-2-10-23(25)24-11-3-5-13-26(24)28/h1-6,9-14,31H,15-21H2/q+1InChIKey
YJXVSSWGMWTTNU-UHFFFAOYSA-NSynonyms
4(2chlorobenzyl)4(4(9hydroxy9Hfluoren9yl)but2yn1yl)morpholin4ium
4(2chlorobenzyl)4(4(9hydroxy9Hfluoren9yl)but2yn1yl)morpholin4iumchloride
9(4(4((2CHLOROPHENYL)METHYL)MORPHOLIN4IUM4YL)BUT2YNYL)FLUOREN9OL
C1COCC(N+)1(CC#CCC2(C3=CC=CC=C3C4=CC=CC=C42)O)CC5=CC=CC=C5Cl
Clc1ccccc1C(N+)1(CCOCC1)CC#CCC1(O)c2ccccc2c2c1cccc2
Clc1ccccc1C(N+)1(CCOCC1)CC#CCC1(O)c2ccccc2c2c1cccc2(Cl)
InChI=1SC28H27ClNO2c29271461922(27)2130(171932201830)16871528(31)2512421023(25)2411351326(24)28h1691431H1521H2q+1
MFCD02242617
ZINC000001781771
ZINC01781771
ZINC1781771
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