Vitas-M small molecule compound

(4Z)-4-[2-(3-methoxyphenyl)hydrazinylidene]-5-methyl-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-2,4-dihydro-3H-pyrazol-3-one

Catalog ID
STK006802
SMILES COc1cccc(c1)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 C20H16N6O4S MW 436.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16N6O4S/c1-12-18(23-22-14-6-4-8-16(10-14)30-2)19(27)25(24-12)20-21-17(11-31-20)13-5-3-7-15(9-13)26(28)29/h3-11,22H,1-2H3/b23-18-
InChIKey
JKMBUPBIYBDBBX-NKFKGCMQSA-N
Synonyms

(4Z)4((3METHOXYPHENYL)HYDRAZINYLIDENE)5METHYL2(4(3NITROPHENYL)13THIAZOL2YL)PYRAZOL3ONE
(4Z)4(2(3METHOXYPHENYL)HYDRAZINYLIDENE)5METHYL2(4(3NITROPHENYL)13THIAZOL2YL)24DIHYDRO3HPYRAZOL3ONE
CC1=NN(C(=O)C1=NNC2=CC(=CC=C2)OC)C3=NC(=CS3)C4=CC(=CC=C4)(N+)(=O)(O)
COc1cccc(c1)NN=C1C(=NN(C1=O)c1scc(n1)c1cccc(c1)(N+)(=O)(O))C
InChI=1SC20H16N6O4Sc11218(23221464816(1014)302)19(27)25(2412)202117(113120)1353715(913)26(28)29h31122H12H3b2318
MFCD02025979
STK006802
ZINC000012285329
ZINC100373541

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Available files

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