Vitas-M small molecule compound

10-bromo-6-methyl-3-(pentylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepine

Catalog ID
STK522154
SMILES CCCCCSc1nnc2c(n1)OC(=Nc1c2cc(Br)cc1)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 C16H17BrN4OS MW 393.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17BrN4OS/c1-3-4-5-8-23-16-19-15-14(20-21-16)12-9-11(17)6-7-13(12)18-10(2)22-15/h6-7,9H,3-5,8H2,1-2H3
InChIKey
QDEUEUVCSMAISE-UHFFFAOYSA-N
Synonyms

10bromo6methyl3(pentylsulfanyl)(124)triazino(56d)(31)benzoxazepine
10bromo6methyl3pentylsulfanyl(124)triazino(56d)(31)benzoxazepine
CCCCCSC1=NC2=C(C3=C(C=CC(=C3)Br)N=C(O2)C)N=N1
InChI=1SC16H17BrN4OSc134582316191514(202116)12911(17)6713(12)1810(2)2215h679H358H212H3
MFCD13370985
ZINC000015017052
ZINC15017052

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Available files

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