Vitas-M small molecule compound
methyl {5-bromo-2-ethoxy-4-[(Z)-(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]phenoxy}acetate
Catalog ID
STK160982
SMILES CCOc1cc(/C=C\2/C(=NN(C2=O)c2ccccc2)C)c(cc1OCC(=O)OC)Br
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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 C22H21BrN2O5 MW 473.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21BrN2O5/c1-4-29-19-11-15(18(23)12-20(19)30-13-21(26)28-3)10-17-14(2)24-25(22(17)27)16-8-6-5-7-9-16/h5-12H,4,13H2,1-3H3/b17-10-InChIKey
CGTXICOIYCRNFW-YVLHZVERSA-NSynonyms
CCOC1=C(C=C(C(=C1)C=C2C(=NN(C2=O)C3=CC=CC=C3)C)Br)OCC(=O)OC
CCOc1cc(C=C2C(=NN(C2=O)c2ccccc2)C)c(cc1OCC(=O)OC)Br
InChI=1SC22H21BrN2O5c1429191115(18(23)1220(19)301321(26)283)101714(2)2425(22(17)27)168657916h512H413H213H3b1710
METHYL(5BROMO2ETHOXY4((Z)(3METHYL5OXO1PHENYL15DIHYDRO4HPYRAZOL4YLIDENE)METHYL)PHENOXY)ACETATE
METHYL2(5BROMO2ETHOXY4((Z)(3METHYL5OXO1PHENYLPYRAZOL4YLIDENE)METHYL)PHENOXY)ACETATE
MFCD03699172
ZINC000000683801
ZINC00683801
ZINC683801
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