Vitas-M small molecule compound
propan-2-yl 2-chloro-5-(5-{(E)-[1-(3,4-dimethylphenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}furan-2-yl)benzoate
Catalog ID
STL443449
SMILES CC(OC(=O)c1cc(ccc1Cl)c1ccc(o1)/C=C/1\C(=NN(C1=O)c1ccc(c(c1)C)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 C27H25ClN2O4 MW 476.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25ClN2O4/c1-15(2)33-27(32)23-13-19(7-10-24(23)28)25-11-9-21(34-25)14-22-18(5)29-30(26(22)31)20-8-6-16(3)17(4)12-20/h6-15H,1-5H3/b22-14+InChIKey
HGSKMECVPHGERJ-HYARGMPZSA-NSynonyms
CC(OC(=O)c1cc(ccc1Cl)c1ccc(o1)C=C1C(=NN(C1=O)c1ccc(c(c1)C)C)C)C
CC1=C(C=C(C=C1)N2C(=O)C(=CC3=CC=C(O3)C4=CC(=C(C=C4)Cl)C(=O)OC(C)C)C(=N2)C)C
InChI=1SC27H25ClN2O4c115(2)3327(32)231319(71024(23)28)2511921(3425)142218(5)2930(26(22)31)208616(3)17(4)1220h615H15H3b2214+
MFCD01157911
propan2yl2chloro5(5((E)(1(34dimethylphenyl)3methyl5oxo15dihydro4Hpyrazol4ylidene)methyl)furan2yl)benzoate
PROPAN2YL2CHLORO5(5((E)(1(34DIMETHYLPHENYL)3METHYL5OXOPYRAZOL4YLIDENE)METHYL)FURAN2YL)BENZOATE
ZINC000008694352
ZINC8694352
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