Vitas-M small molecule compound
(2E)-3-{3-[(2-bromo-4-chlorophenoxy)methyl]-4-methoxyphenyl}-N-[1-(4-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]prop-2-enamide
Catalog ID
STK317558
SMILES COc1ccc(cc1COc1ccc(cc1Br)Cl)/C=C/C(=O)Nc1c(C)nn(c1C)Cc1ccc(cc1)F
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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 C29H26BrClFN3O3 MW 598.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H26BrClFN3O3/c1-18-29(19(2)35(34-18)16-21-4-9-24(32)10-5-21)33-28(36)13-7-20-6-11-26(37-3)22(14-20)17-38-27-12-8-23(31)15-25(27)30/h4-15H,16-17H2,1-3H3,(H,33,36)/b13-7+InChIKey
IWOSCJGRIASXJS-NTUHNPAUSA-NSynonyms
515858-59-0(2E)3(3((2bromo4chlorophenoxy)methyl)4methoxyphenyl)N(1(4fluorobenzyl)35dimethyl1Hpyrazol4yl)prop2enamide
(E)3(3((2BROMO4CHLOROPHENOXY)METHYL)4METHOXYPHENYL)N(1((4FLUOROPHENYL)METHYL)35DIMETHYLPYRAZOL4YL)PROP2ENAMIDE
3(3((2BROMO4CHLOROPHENOXY)METHYL)4METHOXYPHENYL)N(1(4FLUOROBENZYL)35DIMETHYL1HPYRAZOL4YL)ACRYLAMIDE
515858590
CC1=C(C(=NN1CC2=CC=C(C=C2)F)C)NC(=O)C=CC3=CC(=C(C=C3)OC)COC4=C(C=C(C=C4)Cl)Br
COc1ccc(cc1COc1ccc(cc1Br)Cl)C=CC(=O)Nc1c(C)nn(c1C)Cc1ccc(cc1)F
InChI=1SC29H26BrClFN3O3c11829(19(2)35(3418)16214924(32)10521)3328(36)1372061126(373)22(1420)17382712823(31)1525(27)30h415H1617H213H3(H3336)b137+
MFCD02373717
ZINC000002770478
ZINC2770478
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.