Vitas-M small molecule compound
1-[3-(butylsulfanyl)-6-(3-phenoxyphenyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone
Catalog ID
STK980047
SMILES CCCCSc1nnc2c(n1)OC(c1cccc(c1)Oc1ccccc1)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 C28H26N4O3S MW 498.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H26N4O3S/c1-3-4-17-36-28-29-26-25(30-31-28)23-15-8-9-16-24(23)32(19(2)33)27(35-26)20-11-10-14-22(18-20)34-21-12-6-5-7-13-21/h5-16,18,27H,3-4,17H2,1-2H3InChIKey
WJXVFSFBZDHKFY-UHFFFAOYSA-NSynonyms
1(3(butylsulfanyl)6(3phenoxyphenyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
1(3BUTYLSULFANYL6(3PHENOXYPHENYL)6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)ETHANONE
3(7ACETYL3(BUTYLSULFANYL)67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPIN6YL)PHENYLPHENYLETHER
CCCCSC1=NC2=C(C3=CC=CC=C3N(C(O2)C4=CC(=CC=C4)OC5=CC=CC=C5)C(=O)C)N=N1
InChI=1SC28H26N4O3Sc134173628292625(303128)2315891624(23)32(19(2)33)27(3526)2011101422(1820)3421126571321h5161827H3417H212H3
MFCD02326664
ZINC000002094737
ZINC000002094739
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