Vitas-M small molecule compound
1-[6-(3-chlorophenyl)-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]butan-1-one
Catalog ID
STK980076
SMILES CCCC(=O)N1C(Oc2c(c3c1cccc3)nnc(n2)SC)c1cccc(c1)Cl
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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 C21H19ClN4O2S MW 426.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19ClN4O2S/c1-3-7-17(27)26-16-11-5-4-10-15(16)18-19(23-21(29-2)25-24-18)28-20(26)13-8-6-9-14(22)12-13/h4-6,8-12,20H,3,7H2,1-2H3InChIKey
HJPGXYMLMYKZAL-UHFFFAOYSA-NSynonyms
1(6(3chlorophenyl)3(methylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)butan1one
1(6(3CHLOROPHENYL)3METHYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)BUTAN1ONE
7BUTYRYL6(3CHLOROPHENYL)3(METHYLSULFANYL)67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
CCCC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SC)C4=CC(=CC=C4)Cl
InChI=1SC21H19ClN4O2Sc13717(27)261611541015(16)1819(2321(292)252418)2820(26)1386914(22)1213h4681220H37H212H3
MFCD02952120
ZINC000000684634
ZINC000000684635
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