Vitas-M small molecule compound
1-[6-(4-ethoxyphenyl)-3-(prop-2-en-1-ylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone
Catalog ID
STK520938
SMILES C=CCSc1nnc2c(n1)OC(c1ccc(cc1)OCC)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 C23H22N4O3S MW 434.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N4O3S/c1-4-14-31-23-24-21-20(25-26-23)18-8-6-7-9-19(18)27(15(3)28)22(30-21)16-10-12-17(13-11-16)29-5-2/h4,6-13,22H,1,5,14H2,2-3H3InChIKey
WHFRKGMDZXFBIA-UHFFFAOYSA-NSynonyms
1(6(4ethoxyphenyl)3(prop2en1ylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
1(6(4ETHOXYPHENYL)3PROP2ENYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)ETHANONE
CCOC1=CC=C(C=C1)C2N(C3=CC=CC=C3C4=C(O2)N=C(N=N4)SCC=C)C(=O)C
InChI=1SC23H22N4O3Sc14143123242120(252623)18867919(18)27(15(3)28)22(3021)16101217(131116)2952h461322H1514H223H3
MFCD02222585
ZINC000002977934
ZINC000002977935
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