Vitas-M small molecule compound
(5-ethylthiophen-2-yl)[7-(3-nitrophenyl)-5-(trifluoromethyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methanone
Catalog ID
STL178402
SMILES CCc1ccc(s1)C(=O)C1=C(Nc2n(C1c1cccc(c1)[N+](=O)[O-])ncn2)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 C19H14F3N5O3S MW 449.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H14F3N5O3S/c1-2-12-6-7-13(31-12)16(28)14-15(10-4-3-5-11(8-10)27(29)30)26-18(23-9-24-26)25-17(14)19(20,21)22/h3-9,15H,2H2,1H3,(H,23,24,25)InChIKey
ZFZPKPKFVKRYJY-UHFFFAOYSA-NSynonyms
832727-27-2(5ethylthiophen2yl)(7(3nitrophenyl)5(trifluoromethyl)17dihydro(124)triazolo(15a)pyrimidin6yl)methanone
(5ethylthiophen2yl)(7(3nitrophenyl)5(trifluoromethyl)47dihydro(124)triazolo(15a)pyrimidin6yl)methanone
832727272
CCC1=CC=C(S1)C(=O)C2=C(N=C3N=CNN3C2C4=CC(=CC=C4)(N+)(=O)(O))C(F)(F)F
CCc1ccc(s1)C(=O)C1=C(Nc2n(C1c1cccc(c1)(N+)(=O)(O))ncn2)C(F)(F)F
InChI=1SC19H14F3N5O3Sc12126713(3112)16(28)1415(1043511(810)27(29)30)2618(2392426)2517(14)19(2021)22h3915H2H21H3(H232425)
MFCD04139767
ZINC000002730095
ZINC000002730096
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