Vitas-M small molecule compound
methyl 2-({(1Z)-1-[3-(2-methoxy-2-oxoethyl)-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene]ethyl}amino)benzoate
Catalog ID
STK262031
SMILES COC(=O)CC1=NN(C(=O)/C/1=C(\Nc1ccccc1C(=O)OC)/C)c1ccccc1
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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 C22H21N3O5 MW 407.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21N3O5/c1-14(23-17-12-8-7-11-16(17)22(28)30-3)20-18(13-19(26)29-2)24-25(21(20)27)15-9-5-4-6-10-15/h4-12,23H,13H2,1-3H3/b20-14-InChIKey
LASJJVUJGXPARK-ZHZULCJRSA-NSynonyms
(Z)methyl2((1(3(2methoxy2oxoethyl)5oxo1phenyl1Hpyrazol4(5H)ylidene)ethyl)amino)benzoate
CC(=C1C(=NN(C1=O)C2=CC=CC=C2)CC(=O)OC)NC3=CC=CC=C3C(=O)OC
COC(=O)CC1=NN(C(=O)C1=C(Nc1ccccc1C(=O)OC)C)c1ccccc1
InChI=1SC22H21N3O5c114(231712871116(17)22(28)303)2018(1319(26)292)2425(21(20)27)1595461015h41223H13H213H3b2014
methyl2(((1Z)1(3(2methoxy2oxoethyl)5oxo1phenyl15dihydro4Hpyrazol4ylidene)ethyl)amino)benzoate
methyl2(((1Z)1(3(2methoxy2oxoethyl)5oxo1phenylpyrazol4ylidene)ethyl)amino)benzoate
METHYL2(4(((2(METHOXYCARBONYL)PHENYL)AMINO)ETHYLIDENE)5OXO1PHENYL12DIAZOLIN3YL)ACETATE
MFCD08548257
ZINC000100423681
ZINC100423681
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