Vitas-M small molecule compound
3-(butylsulfanyl)-6-(3-phenoxyphenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Catalog ID
STK326632
SMILES CCCCSc1nnc2c(n1)OC(Nc1c2cccc1)c1cccc(c1)Oc1ccccc1
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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 C26H24N4O2S MW 456.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H24N4O2S/c1-2-3-16-33-26-28-25-23(29-30-26)21-14-7-8-15-22(21)27-24(32-25)18-10-9-13-20(17-18)31-19-11-5-4-6-12-19/h4-15,17,24,27H,2-3,16H2,1H3InChIKey
LAODODITCWDROM-UHFFFAOYSA-NSynonyms
3(butylsulfanyl)6(3phenoxyphenyl)67dihydro(124)triazino(56d)(31)benzoxazepine
3BUTYLSULFANYL6(3PHENOXYPHENYL)67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
CCCCSC1=NC2=C(C3=CC=CC=C3NC(O2)C4=CC(=CC=C4)OC5=CC=CC=C5)N=N1
InChI=1SC26H24N4O2Sc123163326282523(293026)2114781522(21)2724(3225)181091320(1718)3119115461219h415172427H2316H21H3
MFCD02071126
ZINC000002086917
ZINC000002086918
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