Vitas-M small molecule compound
2-bromo-4-{(Z)-[1-(4-chlorophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}-6-methoxyphenyl acetate
Catalog ID
STK958745
SMILES COc1cc(/C=C\2/C(=NN(C2=O)c2ccc(cc2)Cl)C)cc(c1OC(=O)C)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 C20H16BrClN2O4 MW 463.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16BrClN2O4/c1-11-16(20(26)24(23-11)15-6-4-14(22)5-7-15)8-13-9-17(21)19(28-12(2)25)18(10-13)27-3/h4-10H,1-3H3/b16-8-InChIKey
LGTBNYSAWVUANP-PXNMLYILSA-NSynonyms
445284-88-8(2BROMO4((Z)(1(4CHLOROPHENYL)3METHYL5OXOPYRAZOL4YLIDENE)METHYL)6METHOXYPHENYL)ACETATE
2BROMO4((1(4CHLOROPHENYL)3METHYL5OXO15DIHYDRO4HPYRAZOL4YLIDENE)METHYL)6METHOXYPHENYLACETATE
2bromo4((Z)(1(4chlorophenyl)3methyl5oxo15dihydro4Hpyrazol4ylidene)methyl)6methoxyphenylacetate
445284888
CC1=NN(C(=O)C1=CC2=CC(=C(C(=C2)Br)OC(=O)C)OC)C3=CC=C(C=C3)Cl
COc1cc(C=C2C(=NN(C2=O)c2ccc(cc2)Cl)C)cc(c1OC(=O)C)Br
InChI=1SC20H16BrClN2O4c11116(20(26)24(2311)156414(22)5715)813917(21)19(2812(2)25)18(1013)273h410H13H3b168
MFCD02371528
ZINC000008444179
ZINC08444179
ZINC8444179
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