Vitas-M small molecule compound
6-(2-butoxyphenyl)-3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Catalog ID
STL169724
SMILES CCCCOc1ccccc1C1Nc2ccccc2c2c(O1)nc(SCC)nn2
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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 C22H24N4O2S MW 408.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24N4O2S/c1-3-5-14-27-18-13-9-7-11-16(18)20-23-17-12-8-6-10-15(17)19-21(28-20)24-22(26-25-19)29-4-2/h6-13,20,23H,3-5,14H2,1-2H3InChIKey
ODSJKOGRCHYPFK-UHFFFAOYSA-NSynonyms
353781-12-1353781121
6(2butoxyphenyl)3(ethylsulfanyl)67dihydro(124)triazino(56d)(31)benzoxazepine
6(2BUTOXYPHENYL)3ETHYLSULFANYL67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
CCCCOC1=CC=CC=C1C2NC3=CC=CC=C3C4=C(O2)N=C(N=N4)SCC
InChI=1SC22H24N4O2Sc13514271813971116(18)20231712861015(17)1921(2820)2422(262519)2942h6132023H3514H212H3
MFCD01132721
ZINC000002807347
ZINC000002807348
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