Vitas-M small molecule compound
2-{5-(3,4-dimethoxyphenyl)-1-[(2E)-3-phenylprop-2-enoyl]-4,5-dihydro-1H-pyrazol-3-yl}phenyl benzoate
Catalog ID
STL356204
SMILES COc1ccc(cc1OC)C1CC(=NN1C(=O)/C=C/c1ccccc1)c1ccccc1OC(=O)c1ccccc1
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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 C33H28N2O5 MW 532.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H28N2O5/c1-38-30-19-18-25(21-31(30)39-2)28-22-27(34-35(28)32(36)20-17-23-11-5-3-6-12-23)26-15-9-10-16-29(26)40-33(37)24-13-7-4-8-14-24/h3-21,28H,22H2,1-2H3/b20-17+InChIKey
RKUAEYAQLCOMNI-LVZFUZTISA-NSynonyms
845982-43-6(2(3(34DIMETHOXYPHENYL)2((E)3PHENYLPROP2ENOYL)34DIHYDROPYRAZOL5YL)PHENYL)BENZOATE
(E)2(1cinnamoyl5(34dimethoxyphenyl)45dihydro1Hpyrazol3yl)phenylbenzoate
2(5(34dimethoxyphenyl)1((2E)3phenylprop2enoyl)45dihydro1Hpyrazol3yl)phenylbenzoate
845982436
COC1=C(C=C(C=C1)C2CC(=NN2C(=O)C=CC3=CC=CC=C3)C4=CC=CC=C4OC(=O)C5=CC=CC=C5)OC
COc1ccc(cc1OC)C1CC(=NN1C(=O)C=Cc1ccccc1)c1ccccc1OC(=O)c1ccccc1
InChI=1SC33H28N2O5c13830191825(2131(30)392)282227(3435(28)32(36)201723115361223)26159101629(26)4033(37)24137481424h32128H22H212H3b2017+
MFCD04171124
ZINC000101120114
ZINC000101120121
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