Vitas-M small molecule compound
propan-2-yl 5-(5-{(E)-[1-(4-acetylphenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}furan-2-yl)-2-chlorobenzoate
Catalog ID
STL444700
SMILES CC(OC(=O)c1cc(ccc1Cl)c1ccc(o1)/C=C/1\C(=NN(C1=O)c1ccc(cc1)C(=O)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 C27H23ClN2O5 MW 490.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23ClN2O5/c1-15(2)34-27(33)23-13-19(7-11-24(23)28)25-12-10-21(35-25)14-22-16(3)29-30(26(22)32)20-8-5-18(6-9-20)17(4)31/h5-15H,1-4H3/b22-14+InChIKey
CBZFPLCIAPQBQA-HYARGMPZSA-NSynonyms
CC(OC(=O)c1cc(ccc1Cl)c1ccc(o1)C=C1C(=NN(C1=O)c1ccc(cc1)C(=O)C)C)C
CC1=NN(C(=O)C1=CC2=CC=C(O2)C3=CC(=C(C=C3)Cl)C(=O)OC(C)C)C4=CC=C(C=C4)C(=O)C
InChI=1SC27H23ClN2O5c115(2)3427(33)231319(71124(23)28)25121021(3525)142216(3)2930(26(22)32)208518(6920)17(4)31h515H14H3b2214+
MFCD01157155
propan2yl5(5((E)(1(4acetylphenyl)3methyl5oxo15dihydro4Hpyrazol4ylidene)methyl)furan2yl)2chlorobenzoate
PROPAN2YL5(5((E)(1(4ACETYLPHENYL)3METHYL5OXOPYRAZOL4YLIDENE)METHYL)FURAN2YL)2CHLOROBENZOATE
ZINC000101391561
ZINC101391561
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