Vitas-M small molecule compound

(4E)-4-(4-{2-[2-(3,4-dimethylphenoxy)ethoxy]ethoxy}-3-ethoxybenzylidene)-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one

Catalog ID
STK013436
SMILES CCOc1cc(ccc1OCCOCCOc1ccc(c(c1)C)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 C31H34N2O5 MW 514.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H34N2O5/c1-5-36-30-21-25(20-28-24(4)32-33(31(28)34)26-9-7-6-8-10-26)12-14-29(30)38-18-16-35-15-17-37-27-13-11-22(2)23(3)19-27/h6-14,19-21H,5,15-18H2,1-4H3/b28-20+
InChIKey
GLILQVRMEGZSCT-VFCFBJKWSA-N
Synonyms

(4E)4((4(2(2(34DIMETHYLPHENOXY)ETHOXY)ETHOXY)3ETHOXYPHENYL)METHYLIDENE)5METHYL2PHENYLPYRAZOL3ONE
(4E)4(4(2(2(34DIMETHYLPHENOXY)ETHOXY)ETHOXY)3ETHOXYBENZYLIDENE)5METHYL2PHENYL24DIHYDRO3HPYRAZOL3ONE
CCOC1=C(C=CC(=C1)C=C2C(=NN(C2=O)C3=CC=CC=C3)C)OCCOCCOC4=CC(=C(C=C4)C)C
CCOc1cc(ccc1OCCOCCOc1ccc(c(c1)C)C)C=C1C(=NN(C1=O)c1ccccc1)C
InChI=1SC31H34N2O5c1536302125(202824(4)3233(31(28)34)2697681026)121429(30)3818163515173727131122(2)23(3)1927h6141921H51518H214H3b2820+
MFCD02122047
STK013436
ZINC000008983817
ZINC08983817
ZINC8983817

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Available files

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