Vitas-M small molecule compound

(4Z)-4-(4-methoxybenzylidene)-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one

Catalog ID
STK048192
SMILES COc1ccc(cc1)/C=C\1/C(=NN(C1=O)c1scc(n1)c1ccc(cc1)C)c1ccc(cc1)[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 C27H20N4O4S MW 496.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H20N4O4S/c1-17-3-7-19(8-4-17)24-16-36-27(28-24)30-26(32)23(15-18-5-13-22(35-2)14-6-18)25(29-30)20-9-11-21(12-10-20)31(33)34/h3-16H,1-2H3/b23-15-
InChIKey
NUHABFVFNMUUII-HAHDFKILSA-N
Synonyms

(4Z)4((4METHOXYPHENYL)METHYLIDENE)2(4(4METHYLPHENYL)13THIAZOL2YL)5(4NITROPHENYL)PYRAZOL3ONE
(4Z)4(4METHOXYBENZYLIDENE)2(4(4METHYLPHENYL)13THIAZOL2YL)5(4NITROPHENYL)24DIHYDRO3HPYRAZOL3ONE
CC1=CC=C(C=C1)C2=CSC(=N2)N3C(=O)C(=CC4=CC=C(C=C4)OC)C(=N3)C5=CC=C(C=C5)(N+)(=O)(O)
COc1ccc(cc1)C=C1C(=NN(C1=O)c1scc(n1)c1ccc(cc1)C)c1ccc(cc1)(N+)(=O)(O)
InChI=1SC27H20N4O4Sc1173719(8417)24163627(2824)3026(32)23(151851322(352)14618)25(2930)2091121(121020)31(33)34h316H12H3b2315
MFCD02025894
STK048192
ZINC000009434487
ZINC09434487
ZINC9434487

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Available files

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