Vitas-M small molecule compound
1-[2-(4-chlorophenyl)-2-oxoethyl]-3-{[(4-methoxyphenyl)amino]methyl}-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-1-ium
Catalog ID
STL265079
SMILES COc1ccc(cc1)NCc1n[n+](c2n1CCCCC2)CC(=O)c1ccc(cc1)Cl
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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 C23H26ClN4O2 MW 425.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H26ClN4O2/c1-30-20-12-10-19(11-13-20)25-15-22-26-28(23-5-3-2-4-14-27(22)23)16-21(29)17-6-8-18(24)9-7-17/h6-13,25H,2-5,14-16H2,1H3/q+1InChIKey
MCGDDESUJWYRNA-UHFFFAOYSA-NSynonyms
1(2(4chlorophenyl)2oxoethyl)3(((4methoxyphenyl)amino)methyl)6789tetrahydro5H(124)triazolo(43a)azepin1ium
1(4CHLOROPHENYL)2(3(((4METHOXYPHENYL)AMINO)METHYL)(5H6H7H8H9H124TRIAZOLO(43A)AZAPERHYDROEPINYL))ETHAN1ONE
1(4chlorophenyl)2(3((4methoxyanilino)methyl)6789tetrahydro5H(124)triazolo(43a)azepin4ium1yl)ethanone
COC1=CC=C(C=C1)NCC2=NN(C3=(N+)2CCCCC3)CC(=O)C4=CC=C(C=C4)Cl
COc1ccc(cc1)NCc1n(n+)(c2n1CCCCC2)CC(=O)c1ccc(cc1)Cl
InChI=1SC23H26ClN4O2c13020121019(111320)2515222628(2353241427(22)23)1621(29)176818(24)9717h61325H251416H21H3q+1
ZINC000004134974
ZINC04134974
ZINC4134974
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