Vitas-M small molecule compound
(4Z)-4-[2-(2-ethoxyphenyl)hydrazinylidene]-5-(4-nitrophenyl)-2-(4-phenyl-1,3-thiazol-2-yl)-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK100122
SMILES CCOc1ccccc1N/N=C/1\C(=O)N(N=C1c1ccc(cc1)[N+](=O)[O-])c1scc(n1)c1ccccc1
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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 C26H20N6O4S MW 512.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H20N6O4S/c1-2-36-22-11-7-6-10-20(22)28-29-24-23(18-12-14-19(15-13-18)32(34)35)30-31(25(24)33)26-27-21(16-37-26)17-8-4-3-5-9-17/h3-16,28H,2H2,1H3/b29-24-InChIKey
AMNGXBFZZHDJKR-OLFWJLLRSA-NSynonyms
(4Z)4((2ETHOXYPHENYL)HYDRAZINYLIDENE)5(4NITROPHENYL)2(4PHENYL13THIAZOL2YL)PYRAZOL3ONE
(4Z)4(2(2ETHOXYPHENYL)HYDRAZINYLIDENE)5(4NITROPHENYL)2(4PHENYL13THIAZOL2YL)24DIHYDRO3HPYRAZOL3ONE
CCOC1=CC=CC=C1NN=C2C(=NN(C2=O)C3=NC(=CS3)C4=CC=CC=C4)C5=CC=C(C=C5)(N+)(=O)(O)
CCOc1ccccc1NN=C1C(=O)N(N=C1c1ccc(cc1)(N+)(=O)(O))c1scc(n1)c1ccccc1
InChI=1SC26H20N6O4Sc12362211761020(22)28292423(18121419(151318)32(34)35)3031(25(24)33)262721(163726)178435917h31628H2H21H3b2924
MFCD01418526
ZINC000013896313
ZINC101502385
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