Vitas-M small molecule compound
1-[3-(methylsulfanyl)-6-[4-(trifluoromethyl)phenyl][1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]propan-1-one
Catalog ID
STK521965
SMILES CCC(=O)N1C(Oc2c(c3c1cccc3)nnc(n2)SC)c1ccc(cc1)C(F)(F)F
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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 C21H17F3N4O2S MW 446.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17F3N4O2S/c1-3-16(29)28-15-7-5-4-6-14(15)17-18(25-20(31-2)27-26-17)30-19(28)12-8-10-13(11-9-12)21(22,23)24/h4-11,19H,3H2,1-2H3InChIKey
TYGPHIOQXZZUGM-UHFFFAOYSA-NSynonyms
1(3(methylsulfanyl)6(4(trifluoromethyl)phenyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)propan1one
1(3METHYLSULFANYL6(4(TRIFLUOROMETHYL)PHENYL)6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)PROPAN1ONE
CCC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SC)C4=CC=C(C=C4)C(F)(F)F
InChI=1SC21H17F3N4O2Sc1316(29)2815754614(15)1718(2520(312)272617)3019(28)1281013(11912)21(2223)24h41119H3H212H3
METHYL7PROPIONYL6(4(TRIFLUOROMETHYL)PHENYL)67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPIN3YLSULFIDE
MFCD03864532
ZINC000000684896
ZINC000000684897
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