Vitas-M small molecule compound
dimethyl 5-({(1Z)-1-[1-(4-methoxyphenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]ethyl}amino)benzene-1,3-dicarboxylate
Catalog ID
STK320047
SMILES COc1ccc(cc1)N1N=C(/C(=C(/Nc2cc(cc(c2)C(=O)OC)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 C23H23N3O6 MW 437.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23N3O6/c1-13(24-17-11-15(22(28)31-4)10-16(12-17)23(29)32-5)20-14(2)25-26(21(20)27)18-6-8-19(30-3)9-7-18/h6-12,24H,1-5H3/b20-13-InChIKey
XAFAERJARQOODM-MOSHPQCFSA-NSynonyms
(E)dimethyl5((1(1(4methoxyphenyl)3methyl5oxo1Hpyrazol4(5H)ylidene)ethyl)amino)isophthalate
CC1=NN(C(=O)C1=C(C)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC)C3=CC=C(C=C3)OC
COc1ccc(cc1)N1N=C(C(=C(Nc2cc(cc(c2)C(=O)OC)C(=O)OC)C)C1=O)C
dimethyl5(((1Z)1(1(4methoxyphenyl)3methyl5oxo15dihydro4Hpyrazol4ylidene)ethyl)amino)benzene13dicarboxylate
dimethyl5(((1Z)1(1(4methoxyphenyl)3methyl5oxopyrazol4ylidene)ethyl)amino)benzene13dicarboxylate
InChI=1SC23H23N3O6c113(24171115(22(28)314)1016(1217)23(29)325)2014(2)2526(21(20)27)186819(303)9718h61224H15H3b2013
METHYL3(METHOXYCARBONYL)5(((1(4METHOXYPHENYL)3METHYL5OXO(12DIAZOLIN4YLIDENE))ETHYL)AMINO)BENZOATE
MFCD09591168
ZINC000100136017
ZINC100136017
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