Vitas-M small molecule compound
1-[3-(ethylsulfanyl)-6-[4-(methylsulfanyl)phenyl][1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone
Catalog ID
STK521758
SMILES CCSc1nnc2c(n1)OC(c1ccc(cc1)SC)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 C21H20N4O2S2 MW 424.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N4O2S2/c1-4-29-21-22-19-18(23-24-21)16-7-5-6-8-17(16)25(13(2)26)20(27-19)14-9-11-15(28-3)12-10-14/h5-12,20H,4H2,1-3H3InChIKey
IZLMNJNPJXRICJ-UHFFFAOYSA-NSynonyms
1(3(ethylsulfanyl)6(4(methylsulfanyl)phenyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
1(3ETHYLSULFANYL6(4METHYLSULFANYLPHENYL)6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)ETHANONE
CCSC1=NC2=C(C3=CC=CC=C3N(C(O2)C4=CC=C(C=C4)SC)C(=O)C)N=N1
InChI=1SC21H20N4O2S2c142921221918(232421)16756817(16)25(13(2)26)20(2719)1491115(283)121014h51220H4H213H3
MFCD03718558
ZINC000001121106
ZINC000001121107
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