Vitas-M small molecule compound
1-[6-(furan-2-yl)-3-(prop-2-en-1-ylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone
Catalog ID
STK520936
SMILES C=CCSc1nnc2c(n1)OC(c1ccco1)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 C19H16N4O3S MW 380.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H16N4O3S/c1-3-11-27-19-20-17-16(21-22-19)13-7-4-5-8-14(13)23(12(2)24)18(26-17)15-9-6-10-25-15/h3-10,18H,1,11H2,2H3InChIKey
QRJQMLQJPJKBLS-UHFFFAOYSA-NSynonyms
1(6(furan2yl)3(prop2en1ylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
1(6(FURAN2YL)3PROP2ENYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)ETHANONE
CC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SCC=C)C4=CC=CO4
InChI=1SC19H16N4O3Sc13112719201716(212219)13745814(13)23(12(2)24)18(2617)1596102515h31018H111H22H3
MFCD02222447
ZINC000002113538
ZINC000002113540
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