Vitas-M small molecule compound
(4Z)-2-[4-(4-butylphenyl)-1,3-thiazol-2-yl]-4-{2-[4-chloro-2-(phenylcarbonyl)phenyl]hydrazinylidene}-5-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK095913
SMILES CCCCc1ccc(cc1)c1csc(n1)N1N=C(/C(=N/Nc2ccc(cc2C(=O)c2ccccc2)Cl)/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 C35H27ClN6O4S MW 663.16 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H27ClN6O4S/c1-2-3-7-22-10-12-23(13-11-22)30-21-47-35(37-30)41-34(44)32(31(40-41)24-14-17-27(18-15-24)42(45)46)39-38-29-19-16-26(36)20-28(29)33(43)25-8-5-4-6-9-25/h4-6,8-21,38H,2-3,7H2,1H3/b39-32-InChIKey
DFGVVDDVELNBRF-IJGATTDUSA-NSynonyms
(4Z)2(4(4BUTYLPHENYL)13THIAZOL2YL)4(2(4CHLORO2(PHENYLCARBONYL)PHENYL)HYDRAZINYLIDENE)5(4NITROPHENYL)24DIHYDRO3HPYRAZOL3ONE
(4Z)4((2BENZOYL4CHLOROPHENYL)HYDRAZINYLIDENE)2(4(4BUTYLPHENYL)13THIAZOL2YL)5(4NITROPHENYL)PYRAZOL3ONE
CCCCC1=CC=C(C=C1)C2=CSC(=N2)N3C(=O)C(=NNC4=C(C=C(C=C4)Cl)C(=O)C5=CC=CC=C5)C(=N3)C6=CC=C(C=C6)(N+)(=O)(O)
CCCCc1ccc(cc1)c1csc(n1)N1N=C(C(=NNc2ccc(cc2C(=O)c2ccccc2)Cl)C1=O)c1ccc(cc1)(N+)(=O)(O)
InChI=1SC35H27ClN6O4Sc123722101223(131122)30214735(3730)4134(44)32(31(4041)24141727(181524)42(45)46)393829191626(36)2028(29)33(43)258546925h4682138H237H21H3b3932
MFCD08677866
STK095913
ZINC000150416009
ZINC150589607
Check stock
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Check stock on Vitas-MAvailable files
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