Vitas-M small molecule compound
1-[3-(butylsulfanyl)-6-[4-(methylsulfanyl)phenyl][1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone
Catalog ID
STK980023
SMILES CCCCSc1nnc2c(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 C23H24N4O2S2 MW 452.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H24N4O2S2/c1-4-5-14-31-23-24-21-20(25-26-23)18-8-6-7-9-19(18)27(15(2)28)22(29-21)16-10-12-17(30-3)13-11-16/h6-13,22H,4-5,14H2,1-3H3InChIKey
UYJYVFYNZZHNRZ-UHFFFAOYSA-NSynonyms
1(3(butylsulfanyl)6(4(methylsulfanyl)phenyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
1(3BUTYLSULFANYL6(4METHYLSULFANYLPHENYL)6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)ETHANONE
7ACETYL3(BUTYLSULFANYL)6(4(METHYLSULFANYL)PHENYL)67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
CCCCSC1=NC2=C(C3=CC=CC=C3N(C(O2)C4=CC=C(C=C4)SC)C(=O)C)N=N1
InChI=1SC23H24N4O2S2c145143123242120(252623)18867919(18)27(15(2)28)22(2921)16101217(303)131116h61322H4514H213H3
MFCD02182590
ZINC000002094530
ZINC000002094533
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