Vitas-M small molecule compound
1-[3-(butylsulfanyl)-6-[5-(3-chlorophenyl)furan-2-yl][1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone
Catalog ID
STK980025
SMILES CCCCSc1nnc2c(n1)OC(c1ccc(o1)c1cccc(c1)Cl)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 C26H23ClN4O3S MW 507.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23ClN4O3S/c1-3-4-14-35-26-28-24-23(29-30-26)19-10-5-6-11-20(19)31(16(2)32)25(34-24)22-13-12-21(33-22)17-8-7-9-18(27)15-17/h5-13,15,25H,3-4,14H2,1-2H3InChIKey
UMXFABVROILEPW-UHFFFAOYSA-NSynonyms
1(3(butylsulfanyl)6(5(3chlorophenyl)furan2yl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
1(3BUTYLSULFANYL6(5(3CHLOROPHENYL)FURAN2YL)6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)ETHANONE
7ACETYL6(5(3CHLOROPHENYL)2FURYL)67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPIN3YLBUTYLSULFIDE
CCCCSC1=NC2=C(C3=CC=CC=C3N(C(O2)C4=CC=C(O4)C5=CC(=CC=C5)Cl)C(=O)C)N=N1
InChI=1SC26H23ClN4O3Sc134143526282423(293026)1910561120(19)31(16(2)32)25(3424)22131221(3322)1787918(27)1517h5131525H3414H212H3
MFCD02182595
ZINC000002094566
ZINC000002094568
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