Vitas-M small molecule compound
1-[6-(3-bromo-4,5-dimethoxyphenyl)-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]propan-1-one
Catalog ID
STK521026
SMILES CCC(=O)N1C(Oc2c(c3c1cccc3)nnc(n2)SC)c1cc(Br)c(c(c1)OC)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 C22H21BrN4O4S MW 517.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21BrN4O4S/c1-5-17(28)27-15-9-7-6-8-13(15)18-20(24-22(32-4)26-25-18)31-21(27)12-10-14(23)19(30-3)16(11-12)29-2/h6-11,21H,5H2,1-4H3InChIKey
KGFUDUMVPFKLNR-UHFFFAOYSA-NSynonyms
1(6(3bromo45dimethoxyphenyl)3(methylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)propan1one
1(6(3BROMO45DIMETHOXYPHENYL)3METHYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)PROPAN1ONE
6(3BROMO45DIMETHOXYPHENYL)3(METHYLSULFANYL)7PROPIONYL67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
CCC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SC)C4=CC(=C(C(=C4)Br)OC)OC
InChI=1SC22H21BrN4O4Sc1517(28)2715976813(15)1820(2422(324)262518)3121(27)121014(23)19(303)16(1112)292h61121H5H214H3
MFCD02376914
ZINC000000684432
ZINC000000684433
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