Vitas-M small molecule compound
1-(2-oxo-2-phenylethyl)-4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)pyridinium bromide
Catalog ID
STK014880
SMILES O=C(c1ccccc1)C[n+]1ccc(cc1)c1nnc2n1CCCCC2.[Br-]
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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 C20H21BrN4O MW 413.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21N4O.BrH/c25-18(16-7-3-1-4-8-16)15-23-13-10-17(11-14-23)20-22-21-19-9-5-2-6-12-24(19)20;/h1,3-4,7-8,10-11,13-14H,2,5-6,9,12,15H2;1H/q+1;/p-1InChIKey
ZBRVOOIRMLIVIA-UHFFFAOYSA-MSynonyms
1(2oxo2phenylethyl)4(6789tetrahydro5H(124)triazolo(43a)azepin3yl)pyridiniumbromide
1phenyl2(4(6789tetrahydro5H(124)triazolo(43a)azepin3yl)pyridin1ium1yl)ethanonebromide
C1CCC2=NN=C(N2CC1)C3=CC=(N+)(C=C3)CC(=O)C4=CC=CC=C4(Br)
InChI=1SC20H21N4OBrHc2518(167314816)1523131017(111423)2022211995261224(19)20h1347810111314H25691215H21Hq+1p1
MFCD01595260
O=C(c1ccccc1)C(n+)1ccc(cc1)c1nnc2n1CCCCC2(Br)
STK014880
ZINC000002834436
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