Vitas-M small molecule compound

2-{[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl}-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole

Catalog ID
STK172045
SMILES COc1cc(cc(c1OC)OC)c1nnc(o1)Sc1ccc(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 C18H14F3N3O6S MW 457.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H14F3N3O6S/c1-27-12-6-9(7-13(28-2)15(12)29-3)16-22-23-17(30-16)31-14-5-4-10(18(19,20)21)8-11(14)24(25)26/h4-8H,1-3H3
InChIKey
AWUVLJCDYKHEAY-UHFFFAOYSA-N
Synonyms

123TRIMETHOXY5(5(2NITRO4(TRIFLUOROMETHYL)PHENYLTHIO)(134OXADIAZOL2YL))BENZENE
2((2NITRO4(TRIFLUOROMETHYL)PHENYL)SULFANYL)5(345TRIMETHOXYPHENYL)134OXADIAZOLE
2((2NITRO4(TRIFLUOROMETHYL)PHENYL)THIO)5(345TRIMETHOXYPHENYL)134OXADIAZOLE
2(2NITRO4(TRIFLUOROMETHYL)PHENYL)SULFANYL5(345TRIMETHOXYPHENYL)134OXADIAZOLE
COC1=CC(=CC(=C1OC)OC)C2=NN=C(O2)SC3=C(C=C(C=C3)C(F)(F)F)(N+)(=O)(O)
COc1cc(cc(c1OC)OC)c1nnc(o1)Sc1ccc(cc1(N+)(=O)(O))C(F)(F)F
InChI=1SC18H14F3N3O6Sc1271269(713(282)15(12)293)16222317(3016)31145410(18(1920)21)811(14)24(25)26h48H13H3
MFCD05661678
ZINC000001053261
ZINC01053261
ZINC1053261

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Available files

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