Vitas-M small molecule compound
1-[3-(propylsulfanyl)-6-(pyridin-3-yl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone
Catalog ID
STK520944
SMILES CCCSc1nnc2c(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 C20H19N5O2S MW 393.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19N5O2S/c1-3-11-28-20-22-18-17(23-24-20)15-8-4-5-9-16(15)25(13(2)26)19(27-18)14-7-6-10-21-12-14/h4-10,12,19H,3,11H2,1-2H3InChIKey
NOBLBGJPHXLBLU-UHFFFAOYSA-NSynonyms
1(3(propylsulfanyl)6(pyridin3yl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
1(3propylsulfanyl6pyridin3yl6H(124)triazino(56d)(31)benzoxazepin7yl)ethanone
CCCSC1=NC2=C(C3=CC=CC=C3N(C(O2)C4=CN=CC=C4)C(=O)C)N=N1
InChI=1SC20H19N5O2Sc13112820221817(232420)15845916(15)25(13(2)26)19(2718)147610211214h4101219H311H212H3
MFCD02168420
ZINC000005736003
ZINC000005736013
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