Vitas-M small molecule compound
(4E)-5-methyl-2-(4-nitrophenyl)-4-({[2-(4-propanoylpiperazin-1-yl)ethyl]amino}methylidene)-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK868270
SMILES CCC(=O)N1CCN(CC1)CCN/C=C/1\C(=NN(C1=O)c1ccc(cc1)[N+](=O)[O-])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 C20H26N6O4 MW 414.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H26N6O4/c1-3-19(27)24-12-10-23(11-13-24)9-8-21-14-18-15(2)22-25(20(18)28)16-4-6-17(7-5-16)26(29)30/h4-7,14,21H,3,8-13H2,1-2H3/b18-14+InChIKey
XENPCTITNMITSJ-NBVRZTHBSA-NSynonyms
(4E)5methyl2(4nitrophenyl)4(((2(4propanoylpiperazin1yl)ethyl)amino)methylidene)24dihydro3Hpyrazol3one
(4E)5METHYL2(4NITROPHENYL)4((2(4PROPANOYLPIPERAZIN1YL)ETHYLAMINO)METHYLIDENE)PYRAZOL3ONE
(E)3methyl1(4nitrophenyl)4(((2(4propionylpiperazin1yl)ethyl)amino)methylene)1Hpyrazol5(4H)one
CCC(=O)N1CCN(CC1)CCNC=C1C(=NN(C1=O)c1ccc(cc1)(N+)(=O)(O))C
CCC(=O)N1CCN(CC1)CCNC=C2C(=NN(C2=O)C3=CC=C(C=C3)(N+)(=O)(O))C
InChI=1SC20H26N6O4c1319(27)24121023(111324)9821141815(2)2225(20(18)28)164617(7516)26(29)30h471421H3813H212H3b1814+
MFCD01810988
ZINC000019773131
ZINC19773131
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