Vitas-M small molecule compound
dimethyl 2-({(1Z)-1-[1-(4-methoxyphenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]ethyl}amino)benzene-1,4-dicarboxylate
Catalog ID
STK741977
SMILES COc1ccc(cc1)N1N=C(/C(=C(/Nc2cc(ccc2C(=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(24-19-12-15(22(28)31-4)6-11-18(19)23(29)32-5)20-14(2)25-26(21(20)27)16-7-9-17(30-3)10-8-16/h6-12,24H,1-5H3/b20-13-InChIKey
NHHFMISDVCXASG-MOSHPQCFSA-NSynonyms
(Z)dimethyl2((1(1(4methoxyphenyl)3methyl5oxo1Hpyrazol4(5H)ylidene)ethyl)amino)terephthalate
CC1=NN(C(=O)C1=C(C)NC2=C(C=CC(=C2)C(=O)OC)C(=O)OC)C3=CC=C(C=C3)OC
COc1ccc(cc1)N1N=C(C(=C(Nc2cc(ccc2C(=O)OC)C(=O)OC)C)C1=O)C
dimethyl2(((1Z)1(1(4methoxyphenyl)3methyl5oxo15dihydro4Hpyrazol4ylidene)ethyl)amino)benzene14dicarboxylate
dimethyl2(((1Z)1(1(4methoxyphenyl)3methyl5oxopyrazol4ylidene)ethyl)amino)benzene14dicarboxylate
InChI=1SC23H23N3O6c113(24191215(22(28)314)61118(19)23(29)325)2014(2)2526(21(20)27)167917(303)10816h61224H15H3b2013
MFCD09591169
ZINC000101472774
ZINC101472774
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