Vitas-M small molecule compound
methyl (2E)-3-[1-(2-chlorobenzyl)-3-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]-2-cyanoprop-2-enoate
Catalog ID
STK469945
SMILES COC(=O)/C(=C/c1cn(nc1c1ccc(c(c1)OC)OC)Cc1ccccc1Cl)/C#N
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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 C23H20ClN3O4 MW 437.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20ClN3O4/c1-29-20-9-8-15(11-21(20)30-2)22-18(10-17(12-25)23(28)31-3)14-27(26-22)13-16-6-4-5-7-19(16)24/h4-11,14H,13H2,1-3H3/b17-10+InChIKey
ZPQIZWRFYDDBBW-LICLKQGHSA-NSynonyms
COC(=O)C(=Cc1cn(nc1c1ccc(c(c1)OC)OC)Cc1ccccc1Cl)C#N
COC1=C(C=C(C=C1)C2=NN(C=C2C=C(C#N)C(=O)OC)CC3=CC=CC=C3Cl)OC
InChI=1SC23H20ClN3O4c129209815(1121(20)302)2218(1017(1225)23(28)313)1427(2622)1316645719(16)24h41114H13H213H3b1710+
methyl(2E)3(1(2chlorobenzyl)3(34dimethoxyphenyl)1Hpyrazol4yl)2cyanoprop2enoate
METHYL(2E)3(3(34DIMETHOXYPHENYL)1((2CHLOROPHENYL)METHYL)PYRAZOL4YL)2CYANOPROP2ENOATE
methyl(E)3(1((2chlorophenyl)methyl)3(34dimethoxyphenyl)pyrazol4yl)2cyanoprop2enoate
MFCD07091658
ZINC000017101729
ZINC17101729
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