Vitas-M small molecule compound

10-bromo-3-(hexylsulfanyl)-6-(pyridin-2-yl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine

Catalog ID
STK326338
SMILES CCCCCCSc1nnc2c(n1)OC(Nc1c2cc(Br)cc1)c1ccccn1

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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 C21H22BrN5OS MW 472.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22BrN5OS/c1-2-3-4-7-12-29-21-25-20-18(26-27-21)15-13-14(22)9-10-16(15)24-19(28-20)17-8-5-6-11-23-17/h5-6,8-11,13,19,24H,2-4,7,12H2,1H3
InChIKey
PKLNFPHBKCLHNK-UHFFFAOYSA-N
Synonyms

10bromo3(hexylsulfanyl)6(pyridin2yl)67dihydro(124)triazino(56d)(31)benzoxazepine
10bromo3hexylsulfanyl6pyridin2yl67dihydro(124)triazino(56d)(31)benzoxazepine
CCCCCCSC1=NC2=C(C3=C(C=CC(=C3)Br)NC(O2)C4=CC=CC=N4)N=N1
InChI=1SC21H22BrN5OSc12347122921252018(262721)151314(22)91016(15)2419(2820)17856112317h56811131924H24712H21H3
MFCD04062450
ZINC000009601923
ZINC000009601924

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Available files

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