Vitas-M small molecule compound
1-[6-(2-methylphenyl)-3-(prop-2-en-1-ylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone
Catalog ID
STK521659
SMILES C=CCSc1nnc2c(n1)OC(N(c1c2cccc1)C(=O)C)c1ccccc1C
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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 C22H20N4O2S MW 404.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N4O2S/c1-4-13-29-22-23-20-19(24-25-22)17-11-7-8-12-18(17)26(15(3)27)21(28-20)16-10-6-5-9-14(16)2/h4-12,21H,1,13H2,2-3H3InChIKey
GELHLOAJRWYNPD-UHFFFAOYSA-NSynonyms
1(6(2methylphenyl)3(prop2en1ylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
1(6(2methylphenyl)3prop2enylsulfanyl6H(124)triazino(56d)(31)benzoxazepin7yl)ethanone
CC1=CC=CC=C1C2N(C3=CC=CC=C3C4=C(O2)N=C(N=N4)SCC=C)C(=O)C
InChI=1SC22H20N4O2Sc14132922232019(242522)1711781218(17)26(15(3)27)21(2820)161065914(16)2h41221H113H223H3
MFCD03080516
ZINC000005885475
ZINC000005885594
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