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]ethanone
Catalog ID
STK509137
SMILES CSc1nnc2c(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 C18H16N4O3S MW 368.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16N4O3S/c1-10-8-9-14(24-10)17-22(11(2)23)13-7-5-4-6-12(13)15-16(25-17)19-18(26-3)21-20-15/h4-9,17H,1-3H3InChIKey
KZVOYBKJYVRJPC-UHFFFAOYSA-NSynonyms
1(6(5methylfuran2yl)3(methylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
1(6(5METHYLFURAN2YL)3METHYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)ETHANONE
CC1=CC=C(O1)C2N(C3=CC=CC=C3C4=C(O2)N=C(N=N4)SC)C(=O)C
InChI=1SC18H16N4O3Sc1108914(2410)1722(11(2)23)13754612(13)1516(2517)1918(263)212015h4917H13H3
MFCD01929859
ZINC000001168845
ZINC000001168846
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