Vitas-M small molecule compound
6-[2-(benzyloxy)-5-bromophenyl]-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Catalog ID
STL169887
SMILES CSc1nnc2c(n1)OC(Nc1c2cccc1)c1cc(Br)ccc1OCc1ccccc1
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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 C24H19BrN4O2S MW 507.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H19BrN4O2S/c1-32-24-27-23-21(28-29-24)17-9-5-6-10-19(17)26-22(31-23)18-13-16(25)11-12-20(18)30-14-15-7-3-2-4-8-15/h2-13,22,26H,14H2,1H3InChIKey
QQNMLMFATHKRHB-UHFFFAOYSA-NSynonyms
4BROMO2(3METHYLTHIO(6H7HBENZO(D)124TRIAZINO(65F)13OXAZEPIN6YL))1(PHENYLMETHOXY)BENZENE
6(2(benzyloxy)5bromophenyl)3(methylsulfanyl)67dihydro(124)triazino(56d)(31)benzoxazepine
6(5BROMO2PHENYLMETHOXYPHENYL)3METHYLSULFANYL67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
CSC1=NC2=C(C3=CC=CC=C3NC(O2)C4=C(C=CC(=C4)Br)OCC5=CC=CC=C5)N=N1
InChI=1SC24H19BrN4O2Sc13224272321(282924)179561019(17)2622(3123)181316(25)111220(18)3014157324815h2132226H14H21H3
MFCD01834766
ZINC000002745429
ZINC000002745430
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