Vitas-M small molecule compound
(4E)-4-[2-(2-methoxy-4-nitrophenyl)hydrazinylidene]-5-methyl-2-(4-phenyl-1,3-thiazol-2-yl)-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK095465
SMILES COc1cc(ccc1N/N=C/1\C(=NN(C1=O)c1scc(n1)c1ccccc1)C)[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 C20H16N6O4S MW 436.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16N6O4S/c1-12-18(23-22-15-9-8-14(26(28)29)10-17(15)30-2)19(27)25(24-12)20-21-16(11-31-20)13-6-4-3-5-7-13/h3-11,22H,1-2H3/b23-18+InChIKey
JXCVHPDWSHCSOK-PTGBLXJZSA-NSynonyms
(4E)4((2methoxy4nitrophenyl)hydrazinylidene)5methyl2(4phenyl13thiazol2yl)pyrazol3one
(4E)4(2(2METHOXY4NITROPHENYL)HYDRAZINYLIDENE)5METHYL2(4PHENYL13THIAZOL2YL)24DIHYDRO3HPYRAZOL3ONE
3METHYL1(4PHENYL13THIAZOL2YL)1HPYRAZOLE45DIONE4((4NITRO2METHOXYPHENYL)HYDRAZONE)
CC1=NN(C(=O)C1=NNC2=C(C=C(C=C2)(N+)(=O)(O))OC)C3=NC(=CS3)C4=CC=CC=C4
COc1cc(ccc1NN=C1C(=NN(C1=O)c1scc(n1)c1ccccc1)C)(N+)(=O)(O)
InChI=1SC20H16N6O4Sc11218(2322159814(26(28)29)1017(15)302)19(27)25(2412)202116(113120)136435713h31122H12H3b2318+
MFCD01027665
STK095465
ZINC000101497869
ZINC13895465
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