Vitas-M small molecule compound
(4E)-4-{2-[2-(4-hexylphenoxy)ethoxy]benzylidene}-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK003960
SMILES CCCCCCc1ccc(cc1)OCCOc1ccccc1/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 C31H34N2O3 MW 482.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H34N2O3/c1-3-4-5-7-12-25-17-19-28(20-18-25)35-21-22-36-30-16-11-10-13-26(30)23-29-24(2)32-33(31(29)34)27-14-8-6-9-15-27/h6,8-11,13-20,23H,3-5,7,12,21-22H2,1-2H3/b29-23+InChIKey
LIYXTKQBXYDXIA-BYNJWEBRSA-NSynonyms
(4E)4((2(2(4HEXYLPHENOXY)ETHOXY)PHENYL)METHYLIDENE)5METHYL2PHENYLPYRAZOL3ONE
(4E)4(2(2(4HEXYLPHENOXY)ETHOXY)BENZYLIDENE)5METHYL2PHENYL24DIHYDRO3HPYRAZOL3ONE
CCCCCCC1=CC=C(C=C1)OCCOC2=CC=CC=C2C=C3C(=NN(C3=O)C4=CC=CC=C4)C
CCCCCCc1ccc(cc1)OCCOc1ccccc1C=C1C(=NN(C1=O)c1ccccc1)C
InChI=1SC31H34N2O3c134571225171928(201825)35212236301611101326(30)232924(2)3233(31(29)34)27148691527h6811132023H357122122H212H3b2923+
MFCD03227920
STK003960
ZINC000012285204
ZINC12285204
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