Vitas-M small molecule compound
(4Z)-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-(4-nitrophenyl)-4-{2-[4-(phenylcarbonyl)phenyl]hydrazinylidene}-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK016981
SMILES COc1ccc(cc1)c1csc(n1)N1N=C(/C(=N/Nc2ccc(cc2)C(=O)c2ccccc2)/C1=O)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 C32H22N6O5S MW 602.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H22N6O5S/c1-43-26-17-11-20(12-18-26)27-19-44-32(33-27)37-31(40)29(28(36-37)21-9-15-25(16-10-21)38(41)42)35-34-24-13-7-23(8-14-24)30(39)22-5-3-2-4-6-22/h2-19,34H,1H3/b35-29-InChIKey
LNSZUSCESBRGPI-MJPNWULPSA-NSynonyms
(4Z)2(4(4METHOXYPHENYL)13THIAZOL2YL)5(4NITROPHENYL)4(2(4(PHENYLCARBONYL)PHENYL)HYDRAZINYLIDENE)24DIHYDRO3HPYRAZOL3ONE
(4Z)4((4BENZOYLPHENYL)HYDRAZINYLIDENE)2(4(4METHOXYPHENYL)13THIAZOL2YL)5(4NITROPHENYL)PYRAZOL3ONE
COC1=CC=C(C=C1)C2=CSC(=N2)N3C(=O)C(=NNC4=CC=C(C=C4)C(=O)C5=CC=CC=C5)C(=N3)C6=CC=C(C=C6)(N+)(=O)(O)
COc1ccc(cc1)c1csc(n1)N1N=C(C(=NNc2ccc(cc2)C(=O)c2ccccc2)C1=O)c1ccc(cc1)(N+)(=O)(O)
InChI=1SC32H22N6O5Sc14326171120(121826)27194432(3327)3731(40)29(28(3637)2191525(161021)38(41)42)35342413723(81424)30(39)225324622h21934H1H3b3529
MFCD01418573
STK016981
ZINC000101397899
ZINC101397902
Check stock
See real-time availability and sample size for STK016981 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.