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]ethanone
Catalog ID
STK509451
SMILES CSc1nnc2c(n1)OC(c1ccc(cc1)C(F)(F)F)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 C20H15F3N4O2S MW 432.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H15F3N4O2S/c1-11(28)27-15-6-4-3-5-14(15)16-17(24-19(30-2)26-25-16)29-18(27)12-7-9-13(10-8-12)20(21,22)23/h3-10,18H,1-2H3InChIKey
VGMZNZXPWNVPJE-UHFFFAOYSA-NSynonyms
1(3(methylsulfanyl)6(4(trifluoromethyl)phenyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
1(3METHYLSULFANYL6(4(TRIFLUOROMETHYL)PHENYL)6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)ETHANONE
7ACETYL3(METHYLSULFANYL)6(4(TRIFLUOROMETHYL)PHENYL)67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
CC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SC)C4=CC=C(C=C4)C(F)(F)F
InChI=1SC20H15F3N4O2Sc111(28)2715643514(15)1617(2419(302)262516)2918(27)127913(10812)20(2122)23h31018H12H3
MFCD03838535
ZINC000000684872
ZINC000000684873
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