Vitas-M small molecule compound
(4E)-2-(4-tert-butyl-1,3-thiazol-2-yl)-4-[2-(5-chloro-2-methylphenyl)hydrazinylidene]-5-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK013714
SMILES Clc1ccc(c(c1)N/N=C/1\C(=NN(C1=O)c1scc(n1)C(C)(C)C)c1ccc(cc1)[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 C23H21ClN6O3S MW 496.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21ClN6O3S/c1-13-5-8-15(24)11-17(13)26-27-20-19(14-6-9-16(10-7-14)30(32)33)28-29(21(20)31)22-25-18(12-34-22)23(2,3)4/h5-12,26H,1-4H3/b27-20+InChIKey
DCLGYAJPLUKSNH-NHFJDJAPSA-NSynonyms
(4E)2(4TERTBUTYL13THIAZOL2YL)4((5CHLORO2METHYLPHENYL)HYDRAZINYLIDENE)5(4NITROPHENYL)PYRAZOL3ONE
(4E)2(4TERTBUTYL13THIAZOL2YL)4(2(5CHLORO2METHYLPHENYL)HYDRAZINYLIDENE)5(4NITROPHENYL)24DIHYDRO3HPYRAZOL3ONE
CC1=C(C=C(C=C1)Cl)NN=C2C(=NN(C2=O)C3=NC(=CS3)C(C)(C)C)C4=CC=C(C=C4)(N+)(=O)(O)
Clc1ccc(c(c1)NN=C1C(=NN(C1=O)c1scc(n1)C(C)(C)C)c1ccc(cc1)(N+)(=O)(O))C
InChI=1SC23H21ClN6O3Sc1135815(24)1117(13)26272019(146916(10714)30(32)33)2829(21(20)31)222518(123422)23(23)4h51226H14H3b2720+
MFCD01127352
STK013714
ZINC000012462348
ZINC100108486
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