Vitas-M small molecule compound
1-[6-(5-methylfuran-2-yl)-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]butan-1-one
Catalog ID
STK980109
SMILES CCCC(=O)N1C(Oc2c(c3c1cccc3)nnc(n2)SC)c1ccc(o1)C
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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 C20H20N4O3S MW 396.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N4O3S/c1-4-7-16(25)24-14-9-6-5-8-13(14)17-18(21-20(28-3)23-22-17)27-19(24)15-11-10-12(2)26-15/h5-6,8-11,19H,4,7H2,1-3H3InChIKey
LVAUNOSYCMNQDU-UHFFFAOYSA-NSynonyms
1(6(5methylfuran2yl)3(methylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)butan1one
1(6(5METHYLFURAN2YL)3METHYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)BUTAN1ONE
7BUTYRYL6(5METHYL2FURYL)3(METHYLSULFANYL)67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
CCCC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SC)C4=CC=C(O4)C
InChI=1SC20H20N4O3Sc14716(25)2414965813(14)1718(2120(283)232217)2719(24)15111012(2)2615h5681119H47H213H3
MFCD02952141
ZINC000000684686
ZINC000000684687
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