Vitas-M small molecule compound
3-benzyl-4,8-dimethyl-7-[2-nitro-4-(trifluoromethyl)phenoxy]-2H-chromen-2-one
Catalog ID
STK716733
SMILES O=c1oc2c(C)c(ccc2c(c1Cc1ccccc1)C)Oc1ccc(cc1[N+](=O)[O-])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 C25H18F3NO5 MW 469.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H18F3NO5/c1-14-18-9-11-21(33-22-10-8-17(25(26,27)28)13-20(22)29(31)32)15(2)23(18)34-24(30)19(14)12-16-6-4-3-5-7-16/h3-11,13H,12H2,1-2H3InChIKey
AZFOAQDJTAJZJU-UHFFFAOYSA-NSynonyms
3benzyl48dimethyl7(2nitro4(trifluoromethyl)phenoxy)2Hchromen2one
3BENZYL48DIMETHYL7(2NITRO4(TRIFLUOROMETHYL)PHENOXY)CHROMEN2ONE
CC1=C(C(=O)OC2=C1C=CC(=C2C)OC3=C(C=C(C=C3)C(F)(F)F)(N+)(=O)(O))CC4=CC=CC=C4
InChI=1SC25H18F3NO5c1141891121(332210817(25(2627)28)1320(22)29(31)32)15(2)23(18)3424(30)19(14)12166435716h31113H12H212H3
MFCD02164037
O=c1oc2c(C)c(ccc2c(c1Cc1ccccc1)C)Oc1ccc(cc1(N+)(=O)(O))C(F)(F)F
ZINC000002291475
ZINC02291475
ZINC2291475
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