Vitas-M small molecule compound
(4Z)-4-[2-(2,4-dimethylphenyl)hydrazinylidene]-5-(4-nitrophenyl)-2-(4-phenyl-1,3-thiazol-2-yl)-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK065923
SMILES Cc1ccc(c(c1)C)N/N=C\1/C(=NN(C1=O)c1scc(n1)c1ccccc1)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 C26H20N6O3S MW 496.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H20N6O3S/c1-16-8-13-21(17(2)14-16)28-29-24-23(19-9-11-20(12-10-19)32(34)35)30-31(25(24)33)26-27-22(15-36-26)18-6-4-3-5-7-18/h3-15,28H,1-2H3/b29-24-InChIKey
RLNFTZUDJDFPDB-OLFWJLLRSA-NSynonyms
(4Z)4((24dimethylphenyl)hydrazinylidene)5(4nitrophenyl)2(4phenyl13thiazol2yl)pyrazol3one
(4Z)4(2(24DIMETHYLPHENYL)HYDRAZINYLIDENE)5(4NITROPHENYL)2(4PHENYL13THIAZOL2YL)24DIHYDRO3HPYRAZOL3ONE
CC1=CC(=C(C=C1)NN=C2C(=NN(C2=O)C3=NC(=CS3)C4=CC=CC=C4)C5=CC=C(C=C5)(N+)(=O)(O))C
Cc1ccc(c(c1)C)NN=C1C(=NN(C1=O)c1scc(n1)c1ccccc1)c1ccc(cc1)(N+)(=O)(O)
InChI=1SC26H20N6O3Sc11681321(17(2)1416)28292423(1991120(121019)32(34)35)3031(25(24)33)262722(153626)186435718h31528H12H3b2924
MFCD01418495
STK065923
ZINC000012275870
ZINC101464340
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