Vitas-M small molecule compound
(4E)-4-{[(2-{4-[(4-chlorophenyl)acetyl]piperazin-1-yl}ethyl)amino]methylidene}-5-methyl-2-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STL482245
SMILES Clc1ccc(cc1)CC(=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 C25H27ClN6O4 MW 510.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27ClN6O4/c1-18-23(25(34)31(28-18)21-6-8-22(9-7-21)32(35)36)17-27-10-11-29-12-14-30(15-13-29)24(33)16-19-2-4-20(26)5-3-19/h2-9,17,27H,10-16H2,1H3/b23-17+InChIKey
OKNCUROTWIKHIH-HAVVHWLPSA-NSynonyms
(4E)4(((2(4((4chlorophenyl)acetyl)piperazin1yl)ethyl)amino)methylidene)5methyl2(4nitrophenyl)24dihydro3Hpyrazol3one
(4E)4((2(4(2(4chlorophenyl)acetyl)piperazin1yl)ethylamino)methylidene)5methyl2(4nitrophenyl)pyrazol3one
CC1=NN(C(=O)C1=CNCCN2CCN(CC2)C(=O)CC3=CC=C(C=C3)Cl)C4=CC=C(C=C4)(N+)(=O)(O)
Clc1ccc(cc1)CC(=O)N1CCN(CC1)CCNC=C1C(=NN(C1=O)c1ccc(cc1)(N+)(=O)(O))C
InChI=1SC25H27ClN6O4c11823(25(34)31(2818)216822(9721)32(35)36)1727101129121430(151329)24(33)16192420(26)5319h291727H1016H21H3b2317+
MFCD02244129
ZINC000101392061
ZINC101392061
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