Vitas-M small molecule compound

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

Catalog ID
STK024331
SMILES COc1ccc(cc1)c1csc(n1)N1N=C(/C(=N\Nc2cccc(c2)[N+](=O)[O-])/C1=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(23-22-14-4-3-5-15(10-14)26(28)29)19(27)25(24-12)20-21-17(11-31-20)13-6-8-16(30-2)9-7-13/h3-11,22H,1-2H3/b23-18+
InChIKey
PTLOFIJDWHWTPK-PTGBLXJZSA-N
Synonyms

(4E)2(4(4methoxyphenyl)13thiazol2yl)5methyl4((3nitrophenyl)hydrazinylidene)pyrazol3one
(4E)2(4(4METHOXYPHENYL)13THIAZOL2YL)5METHYL4(2(3NITROPHENYL)HYDRAZINYLIDENE)24DIHYDRO3HPYRAZOL3ONE
CC1=NN(C(=O)C1=NNC2=CC(=CC=C2)(N+)(=O)(O))C3=NC(=CS3)C4=CC=C(C=C4)OC
COc1ccc(cc1)c1csc(n1)N1N=C(C(=NNc2cccc(c2)(N+)(=O)(O))C1=O)C
InChI=1SC20H16N6O4Sc11218(23221443515(1014)26(28)29)19(27)25(2412)202117(113120)136816(302)9713h31122H12H3b2318+
MFCD01246574
STK024331
ZINC000100005401
ZINC12275652

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Available files

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