Vitas-M small molecule compound
6-(6-bromo-1,3-benzodioxol-5-yl)-3-(pentylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Catalog ID
STK979889
SMILES CCCCCSc1nnc2c(n1)OC(Nc1c2cccc1)c1cc2OCOc2cc1Br
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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 C22H21BrN4O3S MW 501.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21BrN4O3S/c1-2-3-6-9-31-22-25-21-19(26-27-22)13-7-4-5-8-16(13)24-20(30-21)14-10-17-18(11-15(14)23)29-12-28-17/h4-5,7-8,10-11,20,24H,2-3,6,9,12H2,1H3InChIKey
AJZNUZXOTCTLPE-UHFFFAOYSA-NSynonyms
354546-53-5354546535
6(6bromo13benzodioxol5yl)3(pentylsulfanyl)67dihydro(124)triazino(56d)(31)benzoxazepine
6(6bromo13benzodioxol5yl)3pentylsulfanyl67dihydro(124)triazino(56d)(31)benzoxazepine
CCCCCSC1=NC2=C(C3=CC=CC=C3NC(O2)C4=CC5=C(C=C4Br)OCO5)N=N1
InChI=1SC22H21BrN4O3Sc123693122252119(262722)13745816(13)2420(3021)14101718(1115(14)23)29122817h457810112024H236912H21H3
MFCD01919726
ZINC000002743327
ZINC000002743328
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