Vitas-M small molecule compound
1-[6-(6-chloro-1,3-benzodioxol-5-yl)-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]butan-1-one
Catalog ID
STK980117
SMILES CCCC(=O)N1C(Oc2c(c3c1cccc3)nnc(n2)SC)c1cc2OCOc2cc1Cl
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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 C22H19ClN4O4S MW 470.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19ClN4O4S/c1-3-6-18(28)27-15-8-5-4-7-12(15)19-20(24-22(32-2)26-25-19)31-21(27)13-9-16-17(10-14(13)23)30-11-29-16/h4-5,7-10,21H,3,6,11H2,1-2H3InChIKey
TXQHHHLMXXNIGD-UHFFFAOYSA-NSynonyms
1(6(6chloro13benzodioxol5yl)3(methylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)butan1one
1(6(6CHLORO13BENZODIOXOL5YL)3METHYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)BUTAN1ONE
7BUTYRYL6(6CHLORO13BENZODIOXOL5YL)67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPIN3YLMETHYLSULFIDE
CCCC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SC)C4=CC5=C(C=C4Cl)OCO5
InChI=1SC22H19ClN4O4Sc13618(28)2715854712(15)1920(2422(322)262519)3121(27)1391617(1014(13)23)30112916h4571021H3611H212H3
MFCD03080466
ZINC000000684684
ZINC000000684685
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