Vitas-M small molecule compound
6-(3-bromo-4,5-diethoxyphenyl)-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Catalog ID
STL169914
SMILES CCOc1cc(cc(c1OCC)Br)C1Nc2ccccc2c2c(O1)nc(SC)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 C21H21BrN4O3S MW 489.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21BrN4O3S/c1-4-27-16-11-12(10-14(22)18(16)28-5-2)19-23-15-9-7-6-8-13(15)17-20(29-19)24-21(30-3)26-25-17/h6-11,19,23H,4-5H2,1-3H3InChIKey
IWNZGBNSKJVBBH-UHFFFAOYSA-NSynonyms
6(3bromo45diethoxyphenyl)3(methylsulfanyl)67dihydro(124)triazino(56d)(31)benzoxazepine
6(3bromo45diethoxyphenyl)3methylsulfanyl67dihydro(124)triazino(56d)(31)benzoxazepine
CCOC1=C(C(=CC(=C1)C2NC3=CC=CC=C3C4=C(O2)N=C(N=N4)SC)Br)OCC
InChI=1SC21H21BrN4O3Sc1427161112(1014(22)18(16)2852)192315976813(15)1720(2919)2421(303)262517h6111923H45H213H3
MFCD01835560
ZINC000002748675
ZINC000002748676
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