Vitas-M small molecule compound
6-(3-bromo-4-ethoxy-5-methoxyphenyl)-3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Catalog ID
STL169919
SMILES CCOc1c(Br)cc(cc1OC)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 C21H21BrN4O3S MW 489.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21BrN4O3S/c1-4-28-18-14(22)10-12(11-16(18)27-3)19-23-15-9-7-6-8-13(15)17-20(29-19)24-21(26-25-17)30-5-2/h6-11,19,23H,4-5H2,1-3H3InChIKey
ZAHSKALDBYQEDK-UHFFFAOYSA-NSynonyms
6(3bromo4ethoxy5methoxyphenyl)3(ethylsulfanyl)67dihydro(124)triazino(56d)(31)benzoxazepine
6(3BROMO4ETHOXY5METHOXYPHENYL)3ETHYLSULFANYL67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
CCOC1=C(C=C(C=C1Br)C2NC3=CC=CC=C3C4=C(O2)N=C(N=N4)SCC)OC
InChI=1SC21H21BrN4O3Sc14281814(22)1012(1116(18)273)192315976813(15)1720(2919)2421(262517)3052h6111923H45H213H3
MFCD01921764
ZINC000000998598
ZINC000000998599
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