Vitas-M small molecule compound
1-[3-(ethylsulfanyl)-6-[4-(prop-2-en-1-yloxy)phenyl][1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone
Catalog ID
STK521844
SMILES C=CCOc1ccc(cc1)C1Oc2nc(SCC)nnc2c2c(N1C(=O)C)cccc2
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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 C23H22N4O3S MW 434.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N4O3S/c1-4-14-29-17-12-10-16(11-13-17)22-27(15(3)28)19-9-7-6-8-18(19)20-21(30-22)24-23(26-25-20)31-5-2/h4,6-13,22H,1,5,14H2,2-3H3InChIKey
ZNEQKTQJJYQWCK-UHFFFAOYSA-NSynonyms
1(3(ethylsulfanyl)6(4(prop2en1yloxy)phenyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
1(3ETHYLSULFANYL6(4PROP2ENOXYPHENYL)6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)ETHANONE
CCSC1=NC2=C(C3=CC=CC=C3N(C(O2)C4=CC=C(C=C4)OCC=C)C(=O)C)N=N1
InChI=1SC23H22N4O3Sc14142917121016(111317)2227(15(3)28)19976818(19)2021(3022)2423(262520)3152h461322H1514H223H3
MFCD13370904
ZINC000003640745
ZINC000003640747
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