Vitas-M small molecule compound
1-[3-(butylsulfanyl)-6-ethyl[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone
Catalog ID
STK980127
SMILES CCCCSc1nnc2c(n1)OC(CC)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 C18H22N4O2S MW 358.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H22N4O2S/c1-4-6-11-25-18-19-17-16(20-21-18)13-9-7-8-10-14(13)22(12(3)23)15(5-2)24-17/h7-10,15H,4-6,11H2,1-3H3InChIKey
OGFRPOGIIKVCOT-UHFFFAOYSA-NSynonyms
1(3(butylsulfanyl)6ethyl(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
1(3BUTYLSULFANYL6ETHYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)ETHANONE
CCCCSC1=NC2=C(C3=CC=CC=C3N(C(O2)CC)C(=O)C)N=N1
InChI=1SC18H22N4O2Sc146112518191716(202118)139781014(13)22(12(3)23)15(52)2417h71015H4611H213H3
MFCD02377360
ZINC000002488879
ZINC000002488880
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