Vitas-M small molecule compound
(4E)-4-{[(2-{4-[(3,4-dimethoxyphenyl)acetyl]piperazin-1-yl}ethyl)amino]methylidene}-5-methyl-2-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK025253
SMILES COc1ccc(cc1OC)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 C27H32N6O6 MW 536.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H32N6O6/c1-19-23(27(35)32(29-19)21-5-7-22(8-6-21)33(36)37)18-28-10-11-30-12-14-31(15-13-30)26(34)17-20-4-9-24(38-2)25(16-20)39-3/h4-9,16,18,28H,10-15,17H2,1-3H3/b23-18+InChIKey
IYLWIWZDJXCODT-PTGBLXJZSA-NSynonyms
(4E)4(((2(4((34DIMETHOXYPHENYL)ACETYL)PIPERAZIN1YL)ETHYL)AMINO)METHYLIDENE)5METHYL2(4NITROPHENYL)24DIHYDRO3HPYRAZOL3ONE
(4E)4((2(4(2(34dimethoxyphenyl)acetyl)piperazin1yl)ethylamino)methylidene)5methyl2(4nitrophenyl)pyrazol3one
4(((2(4(2(34DIMETHOXYPHENYL)ACETYL)PIPERAZINYL)ETHYL)AMINO)METHYLENE)3METHYL1(4NITROPHENYL)12DIAZOLIN5ONE
CC1=NN(C(=O)C1=CNCCN2CCN(CC2)C(=O)CC3=CC(=C(C=C3)OC)OC)C4=CC=C(C=C4)(N+)(=O)(O)
COc1ccc(cc1OC)CC(=O)N1CCN(CC1)CCNC=C1C(=NN(C1=O)c1ccc(cc1)(N+)(=O)(O))C
InChI=1SC27H32N6O6c11923(27(35)32(2919)215722(8621)33(36)37)1828101130121431(151330)26(34)17204924(382)25(1620)393h49161828H101517H213H3b2318+
MFCD01919015
STK025253
ZINC000100306559
ZINC100306559
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.