Vitas-M small molecule compound
1-[6-(2-ethoxynaphthalen-1-yl)-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]butan-1-one
Catalog ID
STK980083
SMILES CCCC(=O)N1c2ccccc2c2c(OC1c1c(OCC)ccc3c1cccc3)nc(nn2)SC
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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 C27H26N4O3S MW 486.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N4O3S/c1-4-10-22(32)31-20-14-9-8-13-19(20)24-25(28-27(35-3)30-29-24)34-26(31)23-18-12-7-6-11-17(18)15-16-21(23)33-5-2/h6-9,11-16,26H,4-5,10H2,1-3H3InChIKey
NWTBZNTXVWHTGF-UHFFFAOYSA-NSynonyms
1(6(2ethoxynaphthalen1yl)3(methylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)butan1one
1(6(2ETHOXYNAPHTHALEN1YL)3METHYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)BUTAN1ONE
1(7BUTYRYL3(METHYLSULFANYL)67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPIN6YL)2NAPHTHYLETHYLETHER
CCCC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SC)C4=C(C=CC5=CC=CC=C54)OCC
InChI=1SC27H26N4O3Sc141022(32)312014981319(20)2425(2827(353)302924)3426(31)231812761117(18)151621(23)3352h69111626H4510H213H3
MFCD02952151
ZINC000000684708
ZINC000000684709
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