Vitas-M small molecule compound
propan-2-yl 4-[(4Z)-4-(4-butoxy-3-methoxybenzylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoate
Catalog ID
STL431991
SMILES CCCCOc1ccc(cc1OC)/C=C\1/C(=NN(C1=O)c1ccc(cc1)C(=O)OC(C)C)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 C26H30N2O5 MW 450.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H30N2O5/c1-6-7-14-32-23-13-8-19(16-24(23)31-5)15-22-18(4)27-28(25(22)29)21-11-9-20(10-12-21)26(30)33-17(2)3/h8-13,15-17H,6-7,14H2,1-5H3/b22-15-InChIKey
DRXDYDUXVUBVIC-JCMHNJIXSA-NSynonyms
CCCCOC1=C(C=C(C=C1)C=C2C(=NN(C2=O)C3=CC=C(C=C3)C(=O)OC(C)C)C)OC
CCCCOc1ccc(cc1OC)C=C1C(=NN(C1=O)c1ccc(cc1)C(=O)OC(C)C)C
InChI=1SC26H30N2O5c16714322313819(1624(23)315)152218(4)2728(25(22)29)2111920(101221)26(30)3317(2)3h8131517H6714H215H3b2215
ISOPROPYL4(4(4BUTOXY3METHOXYBENZYLIDENE)3METHYL5OXO45DIHYDRO1HPYRAZOL1YL)BENZOATE
MFCD02628503
propan2yl4((4Z)4((4butoxy3methoxyphenyl)methylidene)3methyl5oxopyrazol1yl)benzoate
propan2yl4((4Z)4(4butoxy3methoxybenzylidene)3methyl5oxo45dihydro1Hpyrazol1yl)benzoate
ZINC000008443137
ZINC08443137
ZINC8443137
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