Vitas-M small molecule compound
1-[3-(ethylsulfanyl)-6-[(E)-2-(4-methoxyphenyl)ethenyl][1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone
Catalog ID
STK522025
SMILES CCSc1nnc2c(n1)OC(/C=C/c1ccc(cc1)OC)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/c1-4-31-23-24-22-21(25-26-23)18-7-5-6-8-19(18)27(15(2)28)20(30-22)14-11-16-9-12-17(29-3)13-10-16/h5-14,20H,4H2,1-3H3/b14-11+InChIKey
YXCFUKNQWNANMB-SDNWHVSQSA-NSynonyms
1(3(ethylsulfanyl)6((E)2(4methoxyphenyl)ethenyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
1(3ethylsulfanyl6((E)2(4methoxyphenyl)ethenyl)6H(124)triazino(56d)(31)benzoxazepin7yl)ethanone
CCSC1=NC2=C(C3=CC=CC=C3N(C(O2)C=CC4=CC=C(C=C4)OC)C(=O)C)N=N1
CCSc1nnc2c(n1)OC(C=Cc1ccc(cc1)OC)N(c1c2cccc1)C(=O)C
InChI=1SC23H22N4O3Sc143123242221(252623)18756819(18)27(15(2)28)20(3022)14111691217(293)131016h51420H4H213H3b1411+
MFCD13370932
ZINC000015016705
ZINC000015016706
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