Vitas-M small molecule compound
(2E)-3-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}-N-[1-(2-chlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]prop-2-enamide
Catalog ID
STK317567
SMILES COc1ccc(cc1COc1ccc(cc1)Br)/C=C/C(=O)Nc1c(C)nn(c1C)Cc1ccccc1Cl
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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)17-22-6-4-5-7-26(22)31)32-28(35)15-9-21-8-14-27(36-3)23(16-21)18-37-25-12-10-24(30)11-13-25/h4-16H,17-18H2,1-3H3,(H,32,35)/b15-9+InChIKey
WRCGKOJOOOEXNO-OQLLNIDSSA-NSynonyms
515858-71-6(2E)3(3((4bromophenoxy)methyl)4methoxyphenyl)N(1(2chlorobenzyl)35dimethyl1Hpyrazol4yl)prop2enamide
(E)3(3((4BROMOPHENOXY)METHYL)4METHOXYPHENYL)N(1((2CHLOROPHENYL)METHYL)35DIMETHYLPYRAZOL4YL)PROP2ENAMIDE
3(3((4BROMOPHENOXY)METHYL)4METHOXYPHENYL)N(1(2CHLOROBENZYL)35DIMETHYL1HPYRAZOL4YL)ACRYLAMIDE
515858716
CC1=C(C(=NN1CC2=CC=CC=C2Cl)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)Cc1ccccc1Cl
InChI=1SC29H27BrClN3O3c11929(20(2)34(3319)1722645726(22)31)3228(35)1592181427(363)23(1621)183725121024(30)111325h416H1718H213H3(H3235)b159+
MFCD02373876
ZINC000002115713
ZINC2115713
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