Vitas-M small molecule compound
6-(5-bromo-2,3-dimethoxyphenyl)-3-(pentylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Catalog ID
STK979922
SMILES CCCCCSc1nnc2c(n1)OC(Nc1c2cccc1)c1cc(Br)cc(c1OC)OC
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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 C23H25BrN4O3S MW 517.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H25BrN4O3S/c1-4-5-8-11-32-23-26-22-19(27-28-23)15-9-6-7-10-17(15)25-21(31-22)16-12-14(24)13-18(29-2)20(16)30-3/h6-7,9-10,12-13,21,25H,4-5,8,11H2,1-3H3InChIKey
JMMRNRFZOZSAEJ-UHFFFAOYSA-NSynonyms
6(5bromo23dimethoxyphenyl)3(pentylsulfanyl)67dihydro(124)triazino(56d)(31)benzoxazepine
6(5BROMO23DIMETHOXYPHENYL)3PENTYLSULFANYL67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
CCCCCSC1=NC2=C(C3=CC=CC=C3NC(O2)C4=CC(=CC(=C4OC)OC)Br)N=N1
InChI=1SC23H25BrN4O3Sc1458113223262219(272823)159671017(15)2521(3122)161214(24)1318(292)20(16)303h6791012132125H45811H213H3
MFCD01648033
ZINC000002744784
ZINC000002744785
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