Vitas-M small molecule compound

1-[3-(hexylsulfanyl)-6-(3-methoxyphenyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone

Catalog ID
STK509248
SMILES CCCCCCSc1nnc2c(n1)OC(c1cccc(c1)OC)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 C25H28N4O3S MW 464.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H28N4O3S/c1-4-5-6-9-15-33-25-26-23-22(27-28-25)20-13-7-8-14-21(20)29(17(2)30)24(32-23)18-11-10-12-19(16-18)31-3/h7-8,10-14,16,24H,4-6,9,15H2,1-3H3
InChIKey
GCYXRHLRJGHOEG-UHFFFAOYSA-N
Synonyms

1(3(hexylsulfanyl)6(3methoxyphenyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
1(3HEXYLSULFANYL6(3METHOXYPHENYL)6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)ETHANONE
3(7ACETYL3(HEXYLSULFANYL)67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPIN6YL)PHENYLMETHYLETHER
CCCCCCSC1=NC2=C(C3=CC=CC=C3N(C(O2)C4=CC(=CC=C4)OC)C(=O)C)N=N1
InChI=1SC25H28N4O3Sc14569153325262322(272825)2013781421(20)29(17(2)30)24(3223)1811101219(1618)313h7810141624H46915H213H3
MFCD03080323
ZINC000002104354
ZINC000002104356

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Available files

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