Vitas-M small molecule compound
1-[10-bromo-3-(ethylsulfanyl)-6-(naphthalen-1-yl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone
Catalog ID
STK980232
SMILES CCSc1nnc2c(n1)OC(N(c1c2cc(Br)cc1)C(=O)C)c1cccc2c1cccc2
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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/c1-3-32-24-26-22-21(27-28-24)19-13-16(25)11-12-20(19)29(14(2)30)23(31-22)18-10-6-8-15-7-4-5-9-17(15)18/h4-13,23H,3H2,1-2H3InChIKey
SVPHOHUQZAIGGE-UHFFFAOYSA-NSynonyms
1(10bromo3(ethylsulfanyl)6(naphthalen1yl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
1(10bromo3ethylsulfanyl6naphthalen1yl6H(124)triazino(56d)(31)benzoxazepin7yl)ethanone
CCSC1=NC2=C(C3=C(C=CC(=C3)Br)N(C(O2)C4=CC=CC5=CC=CC=C54)C(=O)C)N=N1
InChI=1SC24H19BrN4O2Sc133224262221(272824)191316(25)111220(19)29(14(2)30)23(3122)18106815745917(15)18h41323H3H212H3
MFCD17010470
ZINC000015016476
ZINC000015016477
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