Vitas-M small molecule compound
6-(4-ethoxy-3-methylphenyl)-3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Catalog ID
STL169929
SMILES CCOc1ccc(cc1C)C1Nc2ccccc2c2c(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 C21H22N4O2S MW 394.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N4O2S/c1-4-26-17-11-10-14(12-13(17)3)19-22-16-9-7-6-8-15(16)18-20(27-19)23-21(25-24-18)28-5-2/h6-12,19,22H,4-5H2,1-3H3InChIKey
BJVRMYAUTWDLKQ-UHFFFAOYSA-NSynonyms
6(4ethoxy3methylphenyl)3(ethylsulfanyl)67dihydro(124)triazino(56d)(31)benzoxazepine
6(4ETHOXY3METHYLPHENYL)3ETHYLSULFANYL67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
CCOC1=C(C=C(C=C1)C2NC3=CC=CC=C3C4=C(O2)N=C(N=N4)SCC)C
ETHYL4(3(ETHYLSULFANYL)67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPIN6YL)2METHYLPHENYLETHER
InChI=1SC21H22N4O2Sc142617111014(1213(17)3)192216976815(16)1820(2719)2321(252418)2852h6121922H45H213H3
MFCD01921676
ZINC000000671889
ZINC000000671891
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