Vitas-M small molecule compound
methyl 4-({(1Z)-1-[1-(4-methoxyphenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]ethyl}amino)benzoate
Catalog ID
STK320046
SMILES COc1ccc(cc1)N1N=C(/C(=C(/Nc2ccc(cc2)C(=O)OC)\C)/C1=O)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 C21H21N3O4 MW 379.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N3O4/c1-13(22-16-7-5-15(6-8-16)21(26)28-4)19-14(2)23-24(20(19)25)17-9-11-18(27-3)12-10-17/h5-12,22H,1-4H3/b19-13-InChIKey
CQBBINNXBUWCBQ-UYRXBGFRSA-NSynonyms
(Z)methyl4((1(1(4methoxyphenyl)3methyl5oxo1Hpyrazol4(5H)ylidene)ethyl)amino)benzoate
CC1=NN(C(=O)C1=C(C)NC2=CC=C(C=C2)C(=O)OC)C3=CC=C(C=C3)OC
COc1ccc(cc1)N1N=C(C(=C(Nc2ccc(cc2)C(=O)OC)C)C1=O)C
InChI=1SC21H21N3O4c113(22167515(6816)21(26)284)1914(2)2324(20(19)25)1791118(273)121017h51222H14H3b1913
METHYL4(((1(4METHOXYPHENYL)3METHYL5OXO12DIAZOLIN4YLIDENE)ETHYL)AMINO)BENZOATE
methyl4(((1Z)1(1(4methoxyphenyl)3methyl5oxo15dihydro4Hpyrazol4ylidene)ethyl)amino)benzoate
methyl4(((1Z)1(1(4methoxyphenyl)3methyl5oxopyrazol4ylidene)ethyl)amino)benzoate
MFCD09562547
ZINC000100136012
ZINC100136012
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