Vitas-M small molecule compound
methyl 2-chloro-5-({(Z)-[3-methyl-1-(4-methylphenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)benzoate
Catalog ID
STK957292
SMILES COC(=O)c1cc(N/C=C\2/C(=NN(C2=O)c2ccc(cc2)C)C)ccc1Cl
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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 C20H18ClN3O3 MW 383.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18ClN3O3/c1-12-4-7-15(8-5-12)24-19(25)17(13(2)23-24)11-22-14-6-9-18(21)16(10-14)20(26)27-3/h4-11,22H,1-3H3/b17-11-InChIKey
JEBIMMJOUTZHSJ-BOPFTXTBSA-NSynonyms
354994-87-9354994879
CC1=CC=C(C=C1)N2C(=O)C(=CNC3=CC(=C(C=C3)Cl)C(=O)OC)C(=N2)C
COC(=O)c1cc(NC=C2C(=NN(C2=O)c2ccc(cc2)C)C)ccc1Cl
InChI=1SC20H18ClN3O3c1124715(8512)2419(25)17(13(2)2324)1122146918(21)16(1014)20(26)273h41122H13H3b1711
METHYL2CHLORO5(((3METHYL1(4METHYLPHENYL)5OXO15DIHYDRO4HPYRAZOL4YLIDENE)METHYL)AMINO)BENZOATE
methyl2chloro5(((Z)(3methyl1(4methylphenyl)5oxo15dihydro4Hpyrazol4ylidene)methyl)amino)benzoate
METHYL2CHLORO5(((Z)(3METHYL1(4METHYLPHENYL)5OXOPYRAZOL4YLIDENE)METHYL)AMINO)BENZOATE
MFCD01178468
ZINC000005601303
ZINC05601303
ZINC5601303
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