Vitas-M small molecule compound
1-[3-(butylsulfanyl)-6-(7-methoxy-1,3-benzodioxol-5-yl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]propan-1-one
Catalog ID
STK521995
SMILES CCCCSc1nnc2c(n1)OC(c1cc(OC)c3c(c1)OCO3)N(c1c2cccc1)C(=O)CC
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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 C25H26N4O5S MW 494.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26N4O5S/c1-4-6-11-35-25-26-23-21(27-28-25)16-9-7-8-10-17(16)29(20(30)5-2)24(34-23)15-12-18(31-3)22-19(13-15)32-14-33-22/h7-10,12-13,24H,4-6,11,14H2,1-3H3InChIKey
WLJCTDROGFLEQK-UHFFFAOYSA-NSynonyms
1(3(butylsulfanyl)6(7methoxy13benzodioxol5yl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)propan1one
1(3BUTYLSULFANYL6(7METHOXY13BENZODIOXOL5YL)6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)PROPAN1ONE
CCCCSC1=NC2=C(C3=CC=CC=C3N(C(O2)C4=CC5=C(C(=C4)OC)OCO5)C(=O)CC)N=N1
InChI=1SC25H26N4O5Sc146113525262321(272825)169781017(16)29(20(30)52)24(3423)151218(313)2219(1315)32143322h710121324H461114H213H3
MFCD04216530
ZINC000002845364
ZINC000002845365
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