Vitas-M small molecule compound

(4Z)-5-methyl-2-(4-nitrophenyl)-4-{[(2-{4-[(2E)-3-phenylprop-2-enoyl]piperazin-1-yl}ethyl)amino]methylidene}-2,4-dihydro-3H-pyrazol-3-one

Catalog ID
STK033667
SMILES O=C(N1CCN(CC1)CCN/C=C\1/C(=NN(C1=O)c1ccc(cc1)[N+](=O)[O-])C)/C=C/c1ccccc1

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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 C26H28N6O4 MW 488.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H28N6O4/c1-20-24(26(34)31(28-20)22-8-10-23(11-9-22)32(35)36)19-27-13-14-29-15-17-30(18-16-29)25(33)12-7-21-5-3-2-4-6-21/h2-12,19,27H,13-18H2,1H3/b12-7+,24-19-
InChIKey
IOCBDBQBMZRLSN-KCHOLMDKSA-N
Synonyms

(4Z)5METHYL2(4NITROPHENYL)4(((2(4((2E)3PHENYLPROP2ENOYL)PIPERAZIN1YL)ETHYL)AMINO)METHYLIDENE)24DIHYDRO3HPYRAZOL3ONE
(4Z)5METHYL2(4NITROPHENYL)4((2(4((E)3PHENYLPROP2ENOYL)PIPERAZIN1YL)ETHYLAMINO)METHYLIDENE)PYRAZOL3ONE
(E)4(((2(4cinnamoylpiperazin1yl)ethyl)amino)methylene)3methyl1(4nitrophenyl)1Hpyrazol5(4H)one
CC1=NN(C(=O)C1=CNCCN2CCN(CC2)C(=O)C=CC3=CC=CC=C3)C4=CC=C(C=C4)(N+)(=O)(O)
InChI=1SC26H28N6O4c12024(26(34)31(2820)2281023(11922)32(35)36)1927131429151730(181629)25(33)127215324621h2121927H1318H21H3b127+2419
MFCD02292559
O=C(N1CCN(CC1)CCNC=C1C(=NN(C1=O)c1ccc(cc1)(N+)(=O)(O))C)C=Cc1ccccc1
STK033667
ZINC000020058126
ZINC20058126

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Available files

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