Vitas-M small molecule compound
3-(4-chloro-6-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-1,3,5-triazin-2-yl)-2,3,4,5,6,6a-hexahydro-1,5-methano-3-benzazocin-7(1H)-one
Catalog ID
STK680220
SMILES Clc1nc(NCCC2=CCCCC2)nc(n1)N1CC2CC(C1)C1=CC=CC(=O)C1C2
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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 C23H28ClN5O MW 425.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H28ClN5O/c24-21-26-22(25-10-9-15-5-2-1-3-6-15)28-23(27-21)29-13-16-11-17(14-29)18-7-4-8-20(30)19(18)12-16/h4-5,7-8,16-17,19H,1-3,6,9-14H2,(H,25,26,27,28)InChIKey
BBGIVEMFBHJTPL-UHFFFAOYSA-NSynonyms
3(4chloro6((2(cyclohex1en1yl)ethyl)amino)135triazin2yl)234566ahexahydro15methano3benzazocin7(1H)one
C1CCC(=CC1)CCNC2=NC(=NC(=N2)N3CC4CC(C3)C5=CC=CC(=O)C5C4)Cl
InChI=1SC23H28ClN5Oc24212622(25109155213615)2823(2721)2913161117(1429)1874820(30)19(18)1216h4578161719H136914H2(H25262728)
MFCD03766985
ZINC000004580802
ZINC000253387840
Check stock
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Check stock on Vitas-MAvailable files
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