Vitas-M small molecule compound
(2E)-3-{5-[(4-bromo-3-chlorophenoxy)methyl]furan-2-yl}-1-(1-ethyl-3-methyl-1H-pyrazol-4-yl)prop-2-en-1-one
Catalog ID
STL399609
SMILES CCn1nc(c(c1)C(=O)/C=C/c1ccc(o1)COc1ccc(c(c1)Cl)Br)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 C20H18BrClN2O3 MW 449.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18BrClN2O3/c1-3-24-11-17(13(2)23-24)20(25)9-7-14-4-5-16(27-14)12-26-15-6-8-18(21)19(22)10-15/h4-11H,3,12H2,1-2H3/b9-7+InChIKey
ZNPOFZWMDFYJIV-VQHVLOKHSA-NSynonyms
1005580-83-5(2E)3(5((4BROMO3CHLOROPHENOXY)METHYL)FURAN2YL)1(1ETHYL3METHYL1HPYRAZOL4YL)PROP2EN1ONE
(E)3(5((4BROMO3CHLOROPHENOXY)METHYL)FURAN2YL)1(1ETHYL3METHYLPYRAZOL4YL)PROP2EN1ONE
1005580835
CCN1C=C(C(=N1)C)C(=O)C=CC2=CC=C(O2)COC3=CC(=C(C=C3)Br)Cl
CCn1nc(c(c1)C(=O)C=Cc1ccc(o1)COc1ccc(c(c1)Cl)Br)C
InChI=1SC20H18BrClN2O3c13241117(13(2)2324)20(25)97144516(2714)1226156818(21)19(22)1015h411H312H212H3b97+
MFCD04045506
ZINC000022528939
ZINC22528939
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