Vitas-M small molecule compound
(2E)-N-(1-benzyl-3,5-dimethyl-1H-pyrazol-4-yl)-3-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}prop-2-enamide
Catalog ID
STK317495
SMILES COc1ccc(cc1COc1ccc(cc1)Br)/C=C/C(=O)Nc1c(C)nn(c1C)Cc1ccccc1
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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 C29H28BrN3O3 MW 546.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H28BrN3O3/c1-20-29(21(2)33(32-20)18-23-7-5-4-6-8-23)31-28(34)16-10-22-9-15-27(35-3)24(17-22)19-36-26-13-11-25(30)12-14-26/h4-17H,18-19H2,1-3H3,(H,31,34)/b16-10+InChIKey
SQQPQDDVLCCPJY-MHWRWJLKSA-NSynonyms
515850-26-7(2E)N(1benzyl35dimethyl1Hpyrazol4yl)3(3((4bromophenoxy)methyl)4methoxyphenyl)prop2enamide
(E)N(1BENZYL35DIMETHYLPYRAZOL4YL)3(3((4BROMOPHENOXY)METHYL)4METHOXYPHENYL)PROP2ENAMIDE
515850267
CC1=C(C(=NN1CC2=CC=CC=C2)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)Cc1ccccc1
InChI=1SC29H28BrN3O3c12029(21(2)33(3220)18237546823)3128(34)16102291527(353)24(1722)193626131125(30)121426h417H1819H213H3(H3134)b1610+
MFCD02243620
N(1BENZYL35DIMETHYL1HPYRAZOL4YL)3(3((4BROMOPHENOXY)METHYL)4METHOXYPHENYL)ACRYLAMIDE
ZINC000002769473
ZINC02769473
ZINC2769473
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