Vitas-M small molecule compound
1-[3-(hexylsulfanyl)-6-(pyridin-2-yl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone
Catalog ID
STK509219
SMILES CCCCCCSc1nnc2c(n1)OC(c1ccccn1)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 C23H25N5O2S MW 435.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H25N5O2S/c1-3-4-5-10-15-31-23-25-21-20(26-27-23)17-11-6-7-13-19(17)28(16(2)29)22(30-21)18-12-8-9-14-24-18/h6-9,11-14,22H,3-5,10,15H2,1-2H3InChIKey
HKPHCLPUBIAASY-UHFFFAOYSA-NSynonyms
1(3(hexylsulfanyl)6(pyridin2yl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
1(3HEXYLSULFANYL6PYRIDIN2YL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)ETHANONE
7ACETYL3(HEXYLSULFANYL)6(2PYRIDINYL)67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
CCCCCCSC1=NC2=C(C3=CC=CC=C3N(C(O2)C4=CC=CC=N4)C(=O)C)N=N1
InChI=1SC23H25N5O2Sc134510153123252120(262723)1711671319(17)28(16(2)29)22(3021)181289142418h69111422H351015H212H3
MFCD02951993
ZINC000008453092
ZINC000008453094
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