Vitas-M small molecule compound
6-(2-bromophenyl)-3-(pentylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Catalog ID
STK979890
SMILES CCCCCSc1nnc2c(n1)OC(Nc1c2cccc1)c1ccccc1Br
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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 C21H21BrN4OS MW 457.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21BrN4OS/c1-2-3-8-13-28-21-24-20-18(25-26-21)15-10-5-7-12-17(15)23-19(27-20)14-9-4-6-11-16(14)22/h4-7,9-12,19,23H,2-3,8,13H2,1H3InChIKey
AOALUNBXRNGUFS-UHFFFAOYSA-NSynonyms
352701-05-4352701054
6(2bromophenyl)3(pentylsulfanyl)67dihydro(124)triazino(56d)(31)benzoxazepine
6(2BROMOPHENYL)3PENTYLSULFANYL67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
CCCCCSC1=NC2=C(C3=CC=CC=C3NC(O2)C4=CC=CC=C4Br)N=N1
InChI=1SC21H21BrN4OSc1238132821242018(252621)1510571217(15)2319(2720)149461116(14)22h479121923H23813H21H3
MFCD01648008
ZINC000002084954
ZINC000002084955
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