Vitas-M small molecule compound
(4E)-2-(3-chlorophenyl)-4-{[(4-methoxy-2-nitrophenyl)amino]methylidene}-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STL295204
SMILES COc1ccc(c(c1)[N+](=O)[O-])N/C=C/1\C(=NN(C1=O)c1cccc(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 C18H15ClN4O4 MW 386.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H15ClN4O4/c1-11-15(18(24)22(21-11)13-5-3-4-12(19)8-13)10-20-16-7-6-14(27-2)9-17(16)23(25)26/h3-10,20H,1-2H3/b15-10+InChIKey
PLQJZXNBEODRGC-XNTDXEJSSA-NSynonyms
(4E)2(3chlorophenyl)4(((4methoxy2nitrophenyl)amino)methylidene)5methyl24dihydro3Hpyrazol3one
(4E)2(3CHLOROPHENYL)4((4METHOXY2NITROANILINO)METHYLIDENE)5METHYLPYRAZOL3ONE
CC1=NN(C(=O)C1=CNC2=C(C=C(C=C2)OC)(N+)(=O)(O))C3=CC(=CC=C3)Cl
COc1ccc(c(c1)(N+)(=O)(O))NC=C1C(=NN(C1=O)c1cccc(c1)Cl)C
InChI=1SC18H15ClN4O4c11115(18(24)22(2111)1353412(19)813)1020167614(272)917(16)23(25)26h31020H12H3b1510+
MFCD00842307
ZINC000100535675
ZINC100535675
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