Vitas-M small molecule compound
[6-(1,3-benzodioxol-5-yl)-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl](phenyl)methanone
Catalog ID
STK521217
SMILES CSc1nnc2c(n1)OC(c1ccc3c(c1)OCO3)N(c1c2cccc1)C(=O)c1ccccc1
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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 C25H18N4O4S MW 470.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H18N4O4S/c1-34-25-26-22-21(27-28-25)17-9-5-6-10-18(17)29(23(30)15-7-3-2-4-8-15)24(33-22)16-11-12-19-20(13-16)32-14-31-19/h2-13,24H,14H2,1H3InChIKey
VZKNKJICCKJHOE-UHFFFAOYSA-NSynonyms
(6(13benzodioxol5yl)3(methylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)(phenyl)methanone
(6(13BENZODIOXOL5YL)3METHYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)PHENYLMETHANONE
6(13BENZODIOXOL5YL)7BENZOYL67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPIN3YLMETHYLSULFIDE
CSC1=NC2=C(C3=CC=CC=C3N(C(O2)C4=CC5=C(C=C4)OCO5)C(=O)C6=CC=CC=C6)N=N1
InChI=1SC25H18N4O4Sc13425262221(272825)179561018(17)29(23(30)157324815)24(3322)1611121920(1316)32143119h21324H14H21H3
MFCD03080471
ZINC000000684688
ZINC000000684689
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