Vitas-M small molecule compound

(4Z)-4-[4-(dimethylamino)benzylidene]-2-(4-nitrophenyl)-5-propyl-2,4-dihydro-3H-pyrazol-3-one

Catalog ID
STK144103
SMILES CCCC1=NN(C(=O)/C/1=C\c1ccc(cc1)N(C)C)c1ccc(cc1)[N+](=O)[O-]

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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 C21H22N4O3 MW 378.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N4O3/c1-4-5-20-19(14-15-6-8-16(9-7-15)23(2)3)21(26)24(22-20)17-10-12-18(13-11-17)25(27)28/h6-14H,4-5H2,1-3H3/b19-14-
InChIKey
ZTQBDPYCHCCTJS-RGEXLXHISA-N
Synonyms

(4Z)4((4(dimethylamino)phenyl)methylidene)2(4nitrophenyl)5propylpyrazol3one
(4Z)4((4DIMETHYLAMINOPHENYL)METHYLIDENE)2(4NITROPHENYL)5PROPYLPYRAZOL3ONE
(4Z)4(4(DIMETHYLAMINO)BENZYLIDENE)2(4NITROPHENYL)5PROPYL24DIHYDRO3HPYRAZOL3ONE
(Z)4(4(dimethylamino)benzylidene)1(4nitrophenyl)3propyl1Hpyrazol5(4H)one
CCCC1=NN(C(=O)C1=Cc1ccc(cc1)N(C)C)c1ccc(cc1)(N+)(=O)(O)
CCCC1=NN(C(=O)C1=CC2=CC=C(C=C2)N(C)C)C3=CC=C(C=C3)(N+)(=O)(O)
InChI=1SC21H22N4O3c1452019(14156816(9715)23(2)3)21(26)24(2220)17101218(131117)25(27)28h614H45H213H3b1914
MFCD02242012
ZINC000012437269
ZINC12437269

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Available files

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