Vitas-M small molecule compound

4-[(2Z)-2-{3-methyl-1-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene}hydrazinyl]benzoic acid

Catalog ID
STK018306
SMILES CC1=NN(C(=O)/C/1=N\Nc1ccc(cc1)C(=O)O)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 C20H14N6O5S MW 450.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H14N6O5S/c1-11-17(23-22-14-7-5-12(6-8-14)19(28)29)18(27)25(24-11)20-21-16(10-32-20)13-3-2-4-15(9-13)26(30)31/h2-10,22H,1H3,(H,28,29)/b23-17-
InChIKey
MYIKGTPWIGYQMR-QJOMJCCJSA-N
Synonyms
314291-30-0
314291300
4((2Z)2(3METHYL1(4(3NITROPHENYL)13THIAZOL2YL)5OXO15DIHYDRO4HPYRAZOL4YLIDENE)HYDRAZINYL)BENZOICACID
4((2Z)2(3METHYL1(4(3NITROPHENYL)13THIAZOL2YL)5OXOPYRAZOL4YLIDENE)HYDRAZINYL)BENZOICACID
CC1=NN(C(=O)C1=NNc1ccc(cc1)C(=O)O)c1scc(n1)c1cccc(c1)(N+)(=O)(O)
CC1=NN(C(=O)C1=NNC2=CC=C(C=C2)C(=O)O)C3=NC(=CS3)C4=CC(=CC=C4)(N+)(=O)(O)
InChI=1SC20H14N6O5Sc11117(2322147512(6814)19(28)29)18(27)25(2411)202116(103220)1332415(913)26(30)31h21022H1H3(H2829)b2317
MFCD02068039
STK018306
ZINC000012275779
ZINC100507670

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Available files

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