Vitas-M small molecule compound
(4Z)-4-{3-chloro-4-[2-(2-chlorophenoxy)ethoxy]-5-ethoxybenzylidene}-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK026633
SMILES CCOc1cc(cc(c1OCCOc1ccccc1Cl)Cl)/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 C27H24Cl2N2O4 MW 511.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H24Cl2N2O4/c1-3-33-25-17-19(15-21-18(2)30-31(27(21)32)20-9-5-4-6-10-20)16-23(29)26(25)35-14-13-34-24-12-8-7-11-22(24)28/h4-12,15-17H,3,13-14H2,1-2H3/b21-15-InChIKey
RHOOTJOKUCKAHD-QNGOZBTKSA-NSynonyms
(4Z)4((3chloro4(2(2chlorophenoxy)ethoxy)5ethoxyphenyl)methylidene)5methyl2phenylpyrazol3one
(4Z)4(3CHLORO4(2(2CHLOROPHENOXY)ETHOXY)5ETHOXYBENZYLIDENE)5METHYL2PHENYL24DIHYDRO3HPYRAZOL3ONE
CCOC1=C(C(=CC(=C1)C=C2C(=NN(C2=O)C3=CC=CC=C3)C)Cl)OCCOC4=CC=CC=C4Cl
CCOc1cc(cc(c1OCCOc1ccccc1Cl)Cl)C=C1C(=NN(C1=O)c1ccccc1)C
InChI=1SC27H24Cl2N2O4c1333251719(152118(2)3031(27(21)32)2095461020)1623(29)26(25)351413342412871122(24)28h4121517H31314H212H3b2115
MFCD08050088
STK026633
ZINC000013940662
ZINC13940662
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