Vitas-M small molecule compound
1-{2-[5-(4-nitrophenyl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-5-(2,3,5,6-tetrafluorophenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Catalog ID
STL175892
SMILES O=C(N1N=C(CC1c1ccc(cc1)[N+](=O)[O-])c1ccccc1)CN1N=NC2C1C(=O)N(C2=O)c1c(F)c(F)cc(c1F)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 C27H17F4N7O5 MW 595.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H17F4N7O5/c28-16-10-17(29)22(31)24(21(16)30)36-26(40)23-25(27(36)41)35(34-32-23)12-20(39)37-19(14-6-8-15(9-7-14)38(42)43)11-18(33-37)13-4-2-1-3-5-13/h1-10,19,23,25H,11-12H2InChIKey
IFOHPAZUEJTUSB-UHFFFAOYSA-NSynonyms
1023506-81-11(2(5(4nitrophenyl)3phenyl45dihydro1Hpyrazol1yl)2oxoethyl)5(2356tetrafluorophenyl)3a6adihydropyrrolo(34d)(123)triazole46(1H5H)dione
1023506811
3(2(3(4nitrophenyl)5phenyl34dihydropyrazol2yl)2oxoethyl)5(2356tetrafluorophenyl)3a6adihydropyrrolo(34d)triazole46dione
C1C(N(N=C1C2=CC=CC=C2)C(=O)CN3C4C(C(=O)N(C4=O)C5=C(C(=CC(=C5F)F)F)F)N=N3)C6=CC=C(C=C6)(N+)(=O)(O)
InChI=1SC27H17F4N7O5c28161017(29)22(31)24(21(16)30)3626(40)2325(27(36)41)35(343223)1220(39)3719(146815(9714)38(42)43)1118(3337)134213513h110192325H1112H2
MFCD03466711
O=C(N1N=C(CC1c1ccc(cc1)(N+)(=O)(O))c1ccccc1)CN1N=NC2C1C(=O)N(C2=O)c1c(F)c(F)cc(c1F)F
ZINC000102831171
ZINC000245239381
Check stock
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Check stock on Vitas-MAvailable files
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