Vitas-M small molecule compound
1-[3-(butylsulfanyl)-6-(5-methylfuran-2-yl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone
Catalog ID
STK980020
SMILES CCCCSc1nnc2c(n1)OC(c1ccc(o1)C)N(c1c2cccc1)C(=O)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 C21H22N4O3S MW 410.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N4O3S/c1-4-5-12-29-21-22-19-18(23-24-21)15-8-6-7-9-16(15)25(14(3)26)20(28-19)17-11-10-13(2)27-17/h6-11,20H,4-5,12H2,1-3H3InChIKey
LIQXVUZEWZQLQZ-UHFFFAOYSA-NSynonyms
1(3(butylsulfanyl)6(5methylfuran2yl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
1(3BUTYLSULFANYL6(5METHYLFURAN2YL)6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)ETHANONE
7ACETYL6(5METHYL2FURYL)67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPIN3YLBUTYLSULFIDE
CCCCSC1=NC2=C(C3=CC=CC=C3N(C(O2)C4=CC=C(O4)C)C(=O)C)N=N1
InChI=1SC21H22N4O3Sc145122921221918(232421)15867916(15)25(14(3)26)20(2819)17111013(2)2717h61120H4512H213H3
MFCD02182538
ZINC000002094320
ZINC000002094323
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