Vitas-M small molecule compound
3-{4-chloro-6-[(furan-2-ylmethyl)amino]-1,3,5-triazin-2-yl}-2,3,4,5,6,6a-hexahydro-1,5-methano-3-benzazocin-7(1H)-one
Catalog ID
STK680219
SMILES Clc1nc(NCc2ccco2)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 C20H20ClN5O2 MW 397.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20ClN5O2/c21-18-23-19(22-9-14-3-2-6-28-14)25-20(24-18)26-10-12-7-13(11-26)15-4-1-5-17(27)16(15)8-12/h1-6,12-13,16H,7-11H2,(H,22,23,24,25)InChIKey
NBQZZMQMYBVCCQ-UHFFFAOYSA-NSynonyms
3(4chloro6((furan2ylmethyl)amino)135triazin2yl)234566ahexahydro15methano3benzazocin7(1H)one
C1C2CC3C(=O)C=CC=C3C1CN(C2)C4=NC(=NC(=N4)Cl)NCC5=CC=CO5
InChI=1SC20H20ClN5O2c21182319(229143262814)2520(2418)261012713(1126)1541517(27)16(15)812h16121316H711H2(H22232425)
MFCD03766984
ZINC000004127037
ZINC000245256058
ZINC01074160
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