Vitas-M small molecule compound

1-[6-ethyl-3-(ethylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]butan-1-one

Catalog ID
STK521563
SMILES CCCC(=O)N1C(CC)Oc2c(c3c1cccc3)nnc(n2)SCC

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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/c1-4-9-14(23)22-13-11-8-7-10-12(13)16-17(24-15(22)5-2)19-18(21-20-16)25-6-3/h7-8,10-11,15H,4-6,9H2,1-3H3
InChIKey
FVQPURJIWIDBBL-UHFFFAOYSA-N
Synonyms

1(6ethyl3(ethylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)butan1one
1(6ETHYL3ETHYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)BUTAN1ONE
CCCC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SCC)CC
InChI=1SC18H22N4O2Sc14914(23)221311871012(13)1617(2415(22)52)1918(212016)2563h78101115H469H213H3
MFCD03271328
ZINC000001121773
ZINC000001121774

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Available files

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