Vitas-M small molecule compound
1-[3-(ethylsulfanyl)-6-(pyridin-3-yl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone
Catalog ID
STK520828
SMILES CCSc1nnc2c(n1)OC(c1cccnc1)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 C19H17N5O2S MW 379.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H17N5O2S/c1-3-27-19-21-17-16(22-23-19)14-8-4-5-9-15(14)24(12(2)25)18(26-17)13-7-6-10-20-11-13/h4-11,18H,3H2,1-2H3InChIKey
KLDLGZNELWNYHL-UHFFFAOYSA-NSynonyms
1(3(ethylsulfanyl)6(pyridin3yl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
1(3ethylsulfanyl6pyridin3yl6H(124)triazino(56d)(31)benzoxazepin7yl)ethanone
CCSC1=NC2=C(C3=CC=CC=C3N(C(O2)C4=CN=CC=C4)C(=O)C)N=N1
InChI=1SC19H17N5O2Sc132719211716(222319)14845915(14)24(12(2)25)18(2617)137610201113h41118H3H212H3
MFCD02071145
ZINC000002470323
ZINC000002470326
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