Vitas-M small molecule compound
10-bromo-6-(4-tert-butylphenyl)-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Catalog ID
STK326153
SMILES CSc1nnc2c(n1)OC(Nc1c2cc(Br)cc1)c1ccc(cc1)C(C)(C)C
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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 C21H21BrN4OS MW 457.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21BrN4OS/c1-21(2,3)13-7-5-12(6-8-13)18-23-16-10-9-14(22)11-15(16)17-19(27-18)24-20(28-4)26-25-17/h5-11,18,23H,1-4H3InChIKey
ITZZIFWDGJBIFK-UHFFFAOYSA-NSynonyms
10bromo6(4tertbutylphenyl)3(methylsulfanyl)67dihydro(124)triazino(56d)(31)benzoxazepine
10BROMO6(4TERTBUTYLPHENYL)3METHYLSULFANYL67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
CC(C)(C)C1=CC=C(C=C1)C2NC3=C(C=C(C=C3)Br)C4=C(O2)N=C(N=N4)SC
InChI=1SC21H21BrN4OSc121(23)137512(6813)18231610914(22)1115(16)1719(2718)2420(284)262517h5111823H14H3
MFCD01929752
ZINC000002073702
ZINC000002073703
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