Vitas-M small molecule compound

(4E)-2-(4-tert-butyl-1,3-thiazol-2-yl)-4-[2-(2-methoxy-5-nitrophenyl)hydrazinylidene]-5-methyl-2,4-dihydro-3H-pyrazol-3-one

Catalog ID
STK011744
SMILES COc1ccc(cc1N/N=C/1\C(=NN(C1=O)c1scc(n1)C(C)(C)C)C)[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 C18H20N6O4S MW 416.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H20N6O4S/c1-10-15(21-20-12-8-11(24(26)27)6-7-13(12)28-5)16(25)23(22-10)17-19-14(9-29-17)18(2,3)4/h6-9,20H,1-5H3/b21-15+
InChIKey
ZYNKZHLTXFCJBN-RCCKNPSSSA-N
Synonyms

(4E)2(4tertbutyl13thiazol2yl)4((2methoxy5nitrophenyl)hydrazinylidene)5methylpyrazol3one
(4E)2(4TERTBUTYL13THIAZOL2YL)4(2(2METHOXY5NITROPHENYL)HYDRAZINYLIDENE)5METHYL24DIHYDRO3HPYRAZOL3ONE
CC1=NN(C(=O)C1=NNC2=C(C=CC(=C2)(N+)(=O)(O))OC)C3=NC(=CS3)C(C)(C)C
COc1ccc(cc1NN=C1C(=NN(C1=O)c1scc(n1)C(C)(C)C)C)(N+)(=O)(O)
InChI=1SC18H20N6O4Sc11015(212012811(24(26)27)6713(12)285)16(25)23(2210)171914(92917)18(23)4h6920H15H3b2115+
MFCD01126599
STK011744
ZINC000100006115
ZINC12403912

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Available files

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