Vitas-M small molecule compound
1-[6-(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
STK980082
SMILES CCCC(=O)N1C(Oc2c(c3c1cccc3)nnc(n2)SC)c1ccc2c(c1)OCO2
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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/c1-3-6-18(27)26-15-8-5-4-7-14(15)19-20(23-22(31-2)25-24-19)30-21(26)13-9-10-16-17(11-13)29-12-28-16/h4-5,7-11,21H,3,6,12H2,1-2H3InChIKey
RJWYPYSJPLZBRD-UHFFFAOYSA-NSynonyms
1(6(13benzodioxol5yl)3(methylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)butan1one
1(6(13BENZODIOXOL5YL)3METHYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)BUTAN1ONE
6(13BENZODIOXOL5YL)7BUTYRYL3(METHYLSULFANYL)67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
CCCC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SC)C4=CC5=C(C=C4)OCO5
InChI=1SC22H20N4O4Sc13618(27)2615854714(15)1920(2322(312)252419)3021(26)139101617(1113)29122816h4571121H3612H212H3
MFCD02952153
ZINC000000684710
ZINC000000684711
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