Vitas-M small molecule compound
4-{(E)-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)imino]methyl}phenyl 4-tert-butylbenzoate
Catalog ID
STK808918
SMILES O=C(c1ccc(cc1)C(C)(C)C)Oc1ccc(cc1)/C=N/c1c(C)n(n(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 C29H29N3O3 MW 467.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H29N3O3/c1-20-26(27(33)32(31(20)5)24-9-7-6-8-10-24)30-19-21-11-17-25(18-12-21)35-28(34)22-13-15-23(16-14-22)29(2,3)4/h6-19H,1-5H3/b30-19+InChIKey
WFBDMBGPOCZXJN-NDZAJKAJSA-NSynonyms
4((E)((15dimethyl3oxo2phenyl23dihydro1Hpyrazol4yl)imino)methyl)phenyl4tertbutylbenzoate
MFCD03461128
O=C(c1ccc(cc1)C(C)(C)C)Oc1ccc(cc1)C=Nc1c(C)n(n(c1=O)c1ccccc1)C
ZINC000002507724
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