Vitas-M small molecule compound
1-[6-(6-bromo-1,3-benzodioxol-5-yl)-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]propan-1-one
Catalog ID
STK521942
SMILES CCC(=O)N1C(Oc2c(c3c1cccc3)nnc(n2)SC)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 C21H17BrN4O4S MW 501.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17BrN4O4S/c1-3-17(27)26-14-7-5-4-6-11(14)18-19(23-21(31-2)25-24-18)30-20(26)12-8-15-16(9-13(12)22)29-10-28-15/h4-9,20H,3,10H2,1-2H3InChIKey
ZQBANRZRBUOQRR-UHFFFAOYSA-NSynonyms
1(6(6bromo13benzodioxol5yl)3(methylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)propan1one
1(6(6BROMO13BENZODIOXOL5YL)3METHYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)PROPAN1ONE
CCC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SC)C4=CC5=C(C=C4Br)OCO5
InChI=1SC21H17BrN4O4Sc1317(27)2614754611(14)1819(2321(312)252418)3020(26)1281516(913(12)22)29102815h4920H310H212H3
MFCD03999338
ZINC000001140972
ZINC000001140973
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