Vitas-M small molecule compound
1-[6-(2-methylphenyl)-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]propan-1-one
Catalog ID
STK521111
SMILES CSc1nnc2c(n1)OC(c1ccccc1C)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 C21H20N4O2S MW 392.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N4O2S/c1-4-17(26)25-16-12-8-7-11-15(16)18-19(22-21(28-3)24-23-18)27-20(25)14-10-6-5-9-13(14)2/h5-12,20H,4H2,1-3H3InChIKey
HXUMAVBHTQBNEZ-UHFFFAOYSA-NSynonyms
1(6(2methylphenyl)3(methylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)propan1one
1(6(2methylphenyl)3methylsulfanyl6H(124)triazino(56d)(31)benzoxazepin7yl)propan1one
CCC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SC)C4=CC=CC=C4C
InChI=1SC21H20N4O2Sc1417(26)251612871115(16)1819(2221(283)242318)2720(25)141065913(14)2h51220H4H213H3
MFCD04230692
ZINC000006732336
ZINC000006732337
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