Vitas-M small molecule compound
1-{6-[5-(4-chlorophenyl)furan-2-yl]-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl}butan-1-one
Catalog ID
STK980097
SMILES CCCC(=O)N1C(Oc2c(c3c1cccc3)nnc(n2)SC)c1ccc(o1)c1ccc(cc1)Cl
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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 C25H21ClN4O3S MW 492.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21ClN4O3S/c1-3-6-21(31)30-18-8-5-4-7-17(18)22-23(27-25(34-2)29-28-22)33-24(30)20-14-13-19(32-20)15-9-11-16(26)12-10-15/h4-5,7-14,24H,3,6H2,1-2H3InChIKey
YWJGLEUTDKDRNV-UHFFFAOYSA-NSynonyms
1(6(5(4chlorophenyl)furan2yl)3(methylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)butan1one
1(6(5(4CHLOROPHENYL)FURAN2YL)3METHYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)BUTAN1ONE
7BUTYRYL6(5(4CHLOROPHENYL)2FURYL)67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPIN3YLMETHYLSULFIDE
CCCC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SC)C4=CC=C(O4)C5=CC=C(C=C5)Cl
InChI=1SC25H21ClN4O3Sc13621(31)3018854717(18)2223(2725(342)292822)3324(30)20141319(3220)1591116(26)121015h4571424H36H212H3
MFCD03080490
ZINC000000684726
ZINC000000684727
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