Vitas-M small molecule compound
1-[3-(butylsulfanyl)-6-(6-methylpyridin-2-yl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone
Catalog ID
STK980030
SMILES CCCCSc1nnc2c(n1)OC(c1cccc(n1)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 C22H23N5O2S MW 421.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23N5O2S/c1-4-5-13-30-22-24-20-19(25-26-22)16-10-6-7-12-18(16)27(15(3)28)21(29-20)17-11-8-9-14(2)23-17/h6-12,21H,4-5,13H2,1-3H3InChIKey
LXQOCQRNDBICML-UHFFFAOYSA-NSynonyms
1(3(butylsulfanyl)6(6methylpyridin2yl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
1(3BUTYLSULFANYL6(6METHYLPYRIDIN2YL)6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)ETHANONE
CCCCSC1=NC2=C(C3=CC=CC=C3N(C(O2)C4=NC(=CC=C4)C)C(=O)C)N=N1
InChI=1SC22H23N5O2Sc145133022242019(252622)1610671218(16)27(15(3)28)21(2920)17118914(2)2317h61221H4513H213H3
MFCD02182534
ZINC000005102437
ZINC000005102439
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