Vitas-M small molecule compound

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

Catalog ID
STK522112
SMILES CCCCSc1nnc2c(n1)OC=Nc1c2cc(Br)cc1

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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 C14H13BrN4OS MW 365.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H13BrN4OS/c1-2-3-6-21-14-17-13-12(18-19-14)10-7-9(15)4-5-11(10)16-8-20-13/h4-5,7-8H,2-3,6H2,1H3
InChIKey
DATXMXDUUDLIMK-UHFFFAOYSA-N
Synonyms

10bromo3(butylsulfanyl)(124)triazino(56d)(31)benzoxazepine
10BROMO3BUTYLSULFANYL(124)TRIAZINO(56D)(31)BENZOXAZEPINE
CCCCSC1=NC2=C(C3=C(C=CC(=C3)Br)N=CO2)N=N1
InChI=1SC14H13BrN4OSc12362114171312(181914)1079(15)4511(10)1682013h4578H236H21H3
MFCD13370963
ZINC000003656385
ZINC03656385
ZINC3656385

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Available files

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