Vitas-M small molecule compound
(4E)-4-[2-(2,4-dimethylphenyl)hydrazinylidene]-5-methyl-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK012703
SMILES Cc1ccc(c(c1)C)N/N=C/1\C(=NN(C1=O)c1scc(n1)c1cccc(c1)[N+](=O)[O-])C
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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 C21H18N6O3S MW 434.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N6O3S/c1-12-7-8-17(13(2)9-12)23-24-19-14(3)25-26(20(19)28)21-22-18(11-31-21)15-5-4-6-16(10-15)27(29)30/h4-11,23H,1-3H3/b24-19+InChIKey
HZDCSYQAIUKRTE-LYBHJNIJSA-NSynonyms
(4E)4((24DIMETHYLPHENYL)HYDRAZINYLIDENE)5METHYL2(4(3NITROPHENYL)13THIAZOL2YL)PYRAZOL3ONE
(4E)4(2(24DIMETHYLPHENYL)HYDRAZINYLIDENE)5METHYL2(4(3NITROPHENYL)13THIAZOL2YL)24DIHYDRO3HPYRAZOL3ONE
CC1=CC(=C(C=C1)NN=C2C(=NN(C2=O)C3=NC(=CS3)C4=CC(=CC=C4)(N+)(=O)(O))C)C
Cc1ccc(c(c1)C)NN=C1C(=NN(C1=O)c1scc(n1)c1cccc(c1)(N+)(=O)(O))C
InChI=1SC21H18N6O3Sc1127817(13(2)912)23241914(3)2526(20(19)28)212218(113121)1554616(1015)27(29)30h41123H13H3b2419+
MFCD01246606
STK012703
ZINC000013939978
ZINC101391147
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