Vitas-M small molecule compound
6-(2-bromo-5-methoxyphenyl)-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Catalog ID
STL169841
SMILES COc1ccc(c(c1)C1Nc2ccccc2c2c(O1)nc(SC)nn2)Br
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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 C18H15BrN4O2S MW 431.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H15BrN4O2S/c1-24-10-7-8-13(19)12(9-10)16-20-14-6-4-3-5-11(14)15-17(25-16)21-18(26-2)23-22-15/h3-9,16,20H,1-2H3InChIKey
AASZCXOXZKEFCS-UHFFFAOYSA-NSynonyms
6(2bromo5methoxyphenyl)3(methylsulfanyl)67dihydro(124)triazino(56d)(31)benzoxazepine
6(2BROMO5METHOXYPHENYL)3METHYLSULFANYL67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
COC1=CC(=C(C=C1)Br)C2NC3=CC=CC=C3C4=C(O2)N=C(N=N4)SC
InChI=1SC18H15BrN4O2Sc124107813(19)12(910)162014643511(14)1517(2516)2118(262)232215h391620H12H3
MFCD01648073
ZINC000000668382
ZINC000000668383
ZINC00668382
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