Vitas-M small molecule compound
1-(3-chloro-4-fluorophenyl)-3-{4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}pyrrolidine-2,5-dione
Catalog ID
STK662915
SMILES O=C1CC(C(=O)N1c1ccc(c(c1)Cl)F)N1CCN(CC1)c1ccc(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 C21H17ClF4N4O4 MW 500.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17ClF4N4O4/c22-14-10-13(2-3-15(14)23)29-19(31)11-18(20(29)32)28-7-5-27(6-8-28)16-4-1-12(21(24,25)26)9-17(16)30(33)34/h1-4,9-10,18H,5-8,11H2InChIKey
OLOIVGXLTTWKQK-UHFFFAOYSA-NSynonyms
1(3chloro4fluorophenyl)3(4(2nitro4(trifluoromethyl)phenyl)piperazin1yl)pyrrolidine25dione
C1CN(CCN1C2CC(=O)N(C2=O)C3=CC(=C(C=C3)F)Cl)C4=C(C=C(C=C4)C(F)(F)F)(N+)(=O)(O)
InChI=1SC21H17ClF4N4O4c22141013(2315(14)23)2919(31)1118(20(29)32)287527(6828)164112(21(2425)26)917(16)30(33)34h1491018H5811H2
MFCD03916474
O=C1CC(C(=O)N1c1ccc(c(c1)Cl)F)N1CCN(CC1)c1ccc(cc1(N+)(=O)(O))C(F)(F)F
ZINC000015307085
ZINC000101061397
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