Vitas-M small molecule compound
(4E)-4-(3-methoxy-4-{2-[2-(4-methylphenoxy)ethoxy]ethoxy}benzylidene)-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK078415
SMILES COc1cc(ccc1OCCOCCOc1ccc(cc1)C)/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 C29H30N2O5 MW 486.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H30N2O5/c1-21-9-12-25(13-10-21)35-17-15-34-16-18-36-27-14-11-23(20-28(27)33-3)19-26-22(2)30-31(29(26)32)24-7-5-4-6-8-24/h4-14,19-20H,15-18H2,1-3H3/b26-19+InChIKey
DPQIVAJEDPNTLW-LGUFXXKBSA-NSynonyms
(4E)4((3METHOXY4(2(2(4METHYLPHENOXY)ETHOXY)ETHOXY)PHENYL)METHYLIDENE)5METHYL2PHENYLPYRAZOL3ONE
(4E)4(3METHOXY4(2(2(4METHYLPHENOXY)ETHOXY)ETHOXY)BENZYLIDENE)5METHYL2PHENYL24DIHYDRO3HPYRAZOL3ONE
CC1=CC=C(C=C1)OCCOCCOC2=C(C=C(C=C2)C=C3C(=NN(C3=O)C4=CC=CC=C4)C)OC
COc1cc(ccc1OCCOCCOc1ccc(cc1)C)C=C1C(=NN(C1=O)c1ccccc1)C
InChI=1SC29H30N2O5c12191225(131021)3517153416183627141123(2028(27)333)192622(2)3031(29(26)32)247546824h4141920H1518H213H3b2619+
MFCD02121562
STK078415
ZINC000009660011
ZINC09660011
ZINC9660011
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