Vitas-M small molecule compound
(4Z)-4-{3-methoxy-4-[2-(3-methoxyphenoxy)ethoxy]benzylidene}-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK053772
SMILES COc1cc(ccc1OCCOc1cccc(c1)OC)/C=C\1/C(=NN(C1=O)c1ccccc1)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 C27H26N2O5 MW 458.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N2O5/c1-19-24(27(30)29(28-19)21-8-5-4-6-9-21)16-20-12-13-25(26(17-20)32-3)34-15-14-33-23-11-7-10-22(18-23)31-2/h4-13,16-18H,14-15H2,1-3H3/b24-16-InChIKey
XQBFUXATXFMEHE-JLPGSUDCSA-NSynonyms
(4Z)4((3METHOXY4(2(3METHOXYPHENOXY)ETHOXY)PHENYL)METHYLIDENE)5METHYL2PHENYLPYRAZOL3ONE
(4Z)4(3METHOXY4(2(3METHOXYPHENOXY)ETHOXY)BENZYLIDENE)5METHYL2PHENYL24DIHYDRO3HPYRAZOL3ONE
CC1=NN(C(=O)C1=CC2=CC(=C(C=C2)OCCOC3=CC=CC(=C3)OC)OC)C4=CC=CC=C4
COc1cc(ccc1OCCOc1cccc(c1)OC)C=C1C(=NN(C1=O)c1ccccc1)C
InChI=1SC27H26N2O5c11924(27(30)29(2819)218546921)1620121325(26(1720)323)34151433231171022(1823)312h4131618H1415H213H3b2416
MFCD02121126
STK053772
ZINC000013943874
ZINC13943874
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