Vitas-M small molecule compound

butyl 5-(5-{(Z)-[1-(3-bromophenyl)-3-hydroxy-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}furan-2-yl)-2-chlorobenzoate

Catalog ID
STL383214
SMILES CCCCOC(=O)c1cc(ccc1Cl)c1ccc(o1)/C=C\1/C(=NN(C1=O)c1cccc(c1)Br)O

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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 C25H20BrClN2O5 MW 543.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20BrClN2O5/c1-2-3-11-33-25(32)19-12-15(7-9-21(19)27)22-10-8-18(34-22)14-20-23(30)28-29(24(20)31)17-6-4-5-16(26)13-17/h4-10,12-14H,2-3,11H2,1H3,(H,28,30)/b20-14-
InChIKey
APGGTAYFWXAXAE-ZHZULCJRSA-N
Synonyms

BUTYL5(5((Z)(1(3BROMOPHENYL)35DIOXOPYRAZOLIDIN4YLIDENE)METHYL)FURAN2YL)2CHLOROBENZOATE
BUTYL5(5((Z)(1(3BROMOPHENYL)3HYDROXY5OXO15DIHYDRO4HPYRAZOL4YLIDENE)METHYL)FURAN2YL)2CHLOROBENZOATE
CCCCOC(=O)c1cc(ccc1Cl)c1ccc(o1)C=C1C(=NN(C1=O)c1cccc(c1)Br)O
MFCD28952707
ZINC000100164524
ZINC100164524

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Available files

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