Vitas-M small molecule compound
1-[3-(methylsulfanyl)-6-(naphthalen-1-yl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]butan-1-one
Catalog ID
STK980081
SMILES CCCC(=O)N1c2ccccc2c2c(OC1c1cccc3c1cccc3)nc(nn2)SC
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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 C25H22N4O2S MW 442.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22N4O2S/c1-3-9-21(30)29-20-15-7-6-13-19(20)22-23(26-25(32-2)28-27-22)31-24(29)18-14-8-11-16-10-4-5-12-17(16)18/h4-8,10-15,24H,3,9H2,1-2H3InChIKey
RAZHTZSGFLIIQI-UHFFFAOYSA-NSynonyms
1(3(methylsulfanyl)6(naphthalen1yl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)butan1one
1(3METHYLSULFANYL6NAPHTHALEN1YL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)BUTAN1ONE
7BUTYRYL3(METHYLSULFANYL)6(1NAPHTHYL)67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
CCCC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SC)C4=CC=CC5=CC=CC=C54
InChI=1SC25H22N4O2Sc13921(30)292015761319(20)2223(2625(322)282722)3124(29)18148111610451217(16)18h48101524H39H212H3
MFCD02952150
ZINC000000684706
ZINC000000684707
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