Vitas-M small molecule compound
1-[10-bromo-6-(4-ethylphenyl)-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]propan-1-one
Catalog ID
STK509484
SMILES CCC(=O)N1C(Oc2c(c3c1ccc(c3)Br)nnc(n2)SC)c1ccc(cc1)CC
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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 C22H21BrN4O2S MW 485.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21BrN4O2S/c1-4-13-6-8-14(9-7-13)21-27(18(28)5-2)17-11-10-15(23)12-16(17)19-20(29-21)24-22(30-3)26-25-19/h6-12,21H,4-5H2,1-3H3InChIKey
WORZQSXEJUPZRZ-UHFFFAOYSA-NSynonyms
1(10bromo6(4ethylphenyl)3(methylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)propan1one
1(10BROMO6(4ETHYLPHENYL)3METHYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)PROPAN1ONE
10BROMO6(4ETHYLPHENYL)3(METHYLSULFANYL)7PROPIONYL67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
CCC1=CC=C(C=C1)C2N(C3=C(C=C(C=C3)Br)C4=C(O2)N=C(N=N4)SC)C(=O)CC
InChI=1SC22H21BrN4O2Sc14136814(9713)2127(18(28)52)17111015(23)1216(17)1920(2921)2422(303)262519h61221H45H213H3
MFCD04090700
ZINC000000684882
ZINC000000684883
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