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]butan-1-one
Catalog ID
STK522028
SMILES CCCC(=O)N1C(Oc2c(c3c1cccc3)nnc(n2)SCC)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 C23H22N4O4S MW 450.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N4O4S/c1-3-7-19(28)27-16-9-6-5-8-15(16)20-21(24-23(26-25-20)32-4-2)31-22(27)14-10-11-17-18(12-14)30-13-29-17/h5-6,8-12,22H,3-4,7,13H2,1-2H3InChIKey
RYTMYGAAQYYPPH-UHFFFAOYSA-NSynonyms
1(6(13benzodioxol5yl)3(ethylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)butan1one
1(6(13BENZODIOXOL5YL)3ETHYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)BUTAN1ONE
CCCC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SCC)C4=CC5=C(C=C4)OCO5
InChI=1SC23H22N4O4Sc13719(28)2716965815(16)2021(2423(262520)3242)3122(27)1410111718(1214)30132917h5681222H34713H212H3
MFCD04215820
ZINC000015016707
ZINC000015016708
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