Vitas-M small molecule compound
1-[3-(ethylsulfanyl)-6-(thiophen-2-yl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone
Catalog ID
STK521635
SMILES CCSc1nnc2c(n1)OC(c1cccs1)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 C18H16N4O2S2 MW 384.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16N4O2S2/c1-3-25-18-19-16-15(20-21-18)12-7-4-5-8-13(12)22(11(2)23)17(24-16)14-9-6-10-26-14/h4-10,17H,3H2,1-2H3InChIKey
SAGCWSHNKHXVCC-UHFFFAOYSA-NSynonyms
1(3(ethylsulfanyl)6(thiophen2yl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
1(3ETHYLSULFANYL6THIOPHEN2YL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)ETHANONE
CCSC1=NC2=C(C3=CC=CC=C3N(C(O2)C4=CC=CS4)C(=O)C)N=N1
InChI=1SC18H16N4O2S2c132518191615(202118)12745813(12)22(11(2)23)17(2416)1496102614h41017H3H212H3
MFCD02378030
ZINC000000795604
ZINC000000795605
ZINC00795604
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