Vitas-M small molecule compound
1-[3-(propylsulfanyl)-6-{5-[3-(trifluoromethyl)phenyl]furan-2-yl}[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]propan-1-one
Catalog ID
STK327049
SMILES CCCSc1nnc2c(n1)OC(c1ccc(o1)c1cccc(c1)C(F)(F)F)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 C27H23F3N4O3S MW 540.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23F3N4O3S/c1-3-14-38-26-31-24-23(32-33-26)18-10-5-6-11-19(18)34(22(35)4-2)25(37-24)21-13-12-20(36-21)16-8-7-9-17(15-16)27(28,29)30/h5-13,15,25H,3-4,14H2,1-2H3InChIKey
PWRWTZHRBAHPLG-UHFFFAOYSA-NSynonyms
1(3(propylsulfanyl)6(5(3(trifluoromethyl)phenyl)furan2yl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)propan1one
1(3PROPYLSULFANYL6(5(3(TRIFLUOROMETHYL)PHENYL)FURAN2YL)6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)PROPAN1ONE
7PROPIONYL6(5(3(TRIFLUOROMETHYL)PHENYL)2FURYL)67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPIN3YLPROPYLSULFIDE
CCCSC1=NC2=C(C3=CC=CC=C3N(C(O2)C4=CC=C(O4)C5=CC(=CC=C5)C(F)(F)F)C(=O)CC)N=N1
InChI=1SC27H23F3N4O3Sc13143826312423(323326)1810561119(18)34(22(35)42)25(3724)21131220(3621)1687917(1516)27(2829)30h5131525H3414H212H3
MFCD03271332
ZINC000002114110
ZINC000002114112
Check stock
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