Vitas-M small molecule compound
(4E)-4-[2-(3-bromo-4-methylphenyl)hydrazinylidene]-5-methyl-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK069784
SMILES CC1=NN(C(=O)/C/1=N/Nc1ccc(c(c1)Br)C)c1scc(n1)c1cccc(c1)[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 C20H15BrN6O3S MW 499.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H15BrN6O3S/c1-11-6-7-14(9-16(11)21)23-24-18-12(2)25-26(19(18)28)20-22-17(10-31-20)13-4-3-5-15(8-13)27(29)30/h3-10,23H,1-2H3/b24-18+InChIKey
DJSHIXPBAFYXAD-HKOYGPOVSA-NSynonyms
(4E)4((3BROMO4METHYLPHENYL)HYDRAZINYLIDENE)5METHYL2(4(3NITROPHENYL)13THIAZOL2YL)PYRAZOL3ONE
(4E)4(2(3BROMO4METHYLPHENYL)HYDRAZINYLIDENE)5METHYL2(4(3NITROPHENYL)13THIAZOL2YL)24DIHYDRO3HPYRAZOL3ONE
CC1=C(C=C(C=C1)NN=C2C(=NN(C2=O)C3=NC(=CS3)C4=CC(=CC=C4)(N+)(=O)(O))C)Br
CC1=NN(C(=O)C1=NNc1ccc(c(c1)Br)C)c1scc(n1)c1cccc(c1)(N+)(=O)(O)
InChI=1SC20H15BrN6O3Sc1116714(916(11)21)23241812(2)2526(19(18)28)202217(103120)1343515(813)27(29)30h31023H12H3b2418+
MFCD01246791
STK069784
ZINC000013898432
ZINC101468828
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