Vitas-M small molecule compound
6-[(E)-2-(4-nitrophenyl)ethenyl]-3-(trifluoromethyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Catalog ID
STK337545
SMILES [O-][N+](=O)c1ccc(cc1)/C=C/c1sc2n(n1)c(nn2)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 C12H6F3N5O2S MW 341.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H6F3N5O2S/c13-12(14,15)10-16-17-11-19(10)18-9(23-11)6-3-7-1-4-8(5-2-7)20(21)22/h1-6H/b6-3+InChIKey
WVRBQBIBNMNKCH-ZZXKWVIFSA-NSynonyms
(O)(N+)(=O)c1ccc(cc1)C=Cc1sc2n(n1)c(nn2)C(F)(F)F
6((E)2(4NITROPHENYL)ETHENYL)3(TRIFLUOROMETHYL)(124)TRIAZOLO(34B)(134)THIADIAZOLE
C1=CC(=CC=C1C=CC2=NN3C(=NN=C3S2)C(F)(F)F)(N+)(=O)(O)
InChI=1SC12H6F3N5O2Sc1312(1415)1016171119(10)189(2311)637148(527)20(21)22h16Hb63+
MFCD09964710
ZINC000012843561
ZINC12843561
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