Vitas-M small molecule compound
1-[6-(1,3-benzodioxol-5-yl)-3-(ethylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]propan-1-one
Catalog ID
STK326306
SMILES CCSc1nnc2c(n1)OC(c1ccc3c(c1)OCO3)N(c1c2cccc1)C(=O)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 C22H20N4O4S MW 436.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N4O4S/c1-3-18(27)26-15-8-6-5-7-14(15)19-20(23-22(25-24-19)31-4-2)30-21(26)13-9-10-16-17(11-13)29-12-28-16/h5-11,21H,3-4,12H2,1-2H3InChIKey
UUHHCMZUDWSAAG-UHFFFAOYSA-NSynonyms
1(6(13benzodioxol5yl)3(ethylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)propan1one
1(6(13BENZODIOXOL5YL)3ETHYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)PROPAN1ONE
6(13BENZODIOXOL5YL)7PROPIONYL67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPIN3YLETHYLSULFIDE
CCC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SCC)C4=CC5=C(C=C4)OCO5
InChI=1SC22H20N4O4Sc1318(27)2615865714(15)1920(2322(252419)3142)3021(26)139101617(1113)29122816h51121H3412H212H3
MFCD02952129
ZINC000000684645
ZINC000000684646
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