Vitas-M small molecule compound
(2E)-3-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}-N-[1-(4-chlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]prop-2-enamide
Catalog ID
STK317492
SMILES COc1ccc(cc1COc1ccc(cc1)Br)/C=C/C(=O)Nc1c(C)nn(c1C)Cc1ccc(cc1)Cl
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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 C29H27BrClN3O3 MW 580.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H27BrClN3O3/c1-19-29(20(2)34(33-19)17-22-4-10-25(31)11-5-22)32-28(35)15-7-21-6-14-27(36-3)23(16-21)18-37-26-12-8-24(30)9-13-26/h4-16H,17-18H2,1-3H3,(H,32,35)/b15-7+InChIKey
DVRVOLVTOOHGOH-VIZOYTHASA-NSynonyms
515850-21-2(2E)3(3((4bromophenoxy)methyl)4methoxyphenyl)N(1(4chlorobenzyl)35dimethyl1Hpyrazol4yl)prop2enamide
(E)3(3((4BROMOPHENOXY)METHYL)4METHOXYPHENYL)N(1((4CHLOROPHENYL)METHYL)35DIMETHYLPYRAZOL4YL)PROP2ENAMIDE
3(3((4BROMOPHENOXY)METHYL)4METHOXYPHENYL)N(1(4CHLOROBENZYL)35DIMETHYL1HPYRAZOL4YL)ACRYLAMIDE
515850212
CC1=C(C(=NN1CC2=CC=C(C=C2)Cl)C)NC(=O)C=CC3=CC(=C(C=C3)OC)COC4=CC=C(C=C4)Br
COc1ccc(cc1COc1ccc(cc1)Br)C=CC(=O)Nc1c(C)nn(c1C)Cc1ccc(cc1)Cl
InChI=1SC29H27BrClN3O3c11929(20(2)34(3319)172241025(31)11522)3228(35)1572161427(363)23(1621)18372612824(30)91326h416H1718H213H3(H3235)b157+
MFCD02243595
ZINC000002769421
ZINC02769421
ZINC2769421
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.