Vitas-M small molecule compound
(4Z)-1-(3-chloro-4-methylphenyl)-4-(4-methyl-3-nitrobenzylidene)pyrazolidine-3,5-dione
Catalog ID
STL431908
SMILES O=C1NN(C(=O)/C/1=C\c1ccc(c(c1)[N+](=O)[O-])C)c1ccc(c(c1)Cl)C
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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 C18H14ClN3O4 MW 371.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H14ClN3O4/c1-10-4-6-13(9-15(10)19)21-18(24)14(17(23)20-21)7-12-5-3-11(2)16(8-12)22(25)26/h3-9H,1-2H3,(H,20,23)/b14-7-InChIKey
XOZKCCYDKSUJOK-AUWJEWJLSA-NSynonyms
(4Z)1(3CHLORO4METHYLPHENYL)4((4METHYL3NITROPHENYL)METHYLIDENE)PYRAZOLIDINE35DIONE
(4Z)1(3chloro4methylphenyl)4(4methyl3nitrobenzylidene)pyrazolidine35dione
CC1=C(C=C(C=C1)C=C2C(=O)NN(C2=O)C3=CC(=C(C=C3)C)Cl)(N+)(=O)(O)
InChI=1SC18H14ClN3O4c1104613(915(10)19)2118(24)14(17(23)2021)7125311(2)16(812)22(25)26h39H12H3(H2023)b147
MFCD01158379
O=C1NN(C(=O)C1=Cc1ccc(c(c1)(N+)(=O)(O))C)c1ccc(c(c1)Cl)C
ZINC000001204949
ZINC01204949
ZINC1204949
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