Vitas-M small molecule compound
(2E)-N-(1-benzyl-1H-pyrazol-4-yl)-3-{3-[(2-bromo-4-chlorophenoxy)methyl]-4-methoxyphenyl}prop-2-enamide
Catalog ID
STK317550
SMILES COc1ccc(cc1COc1ccc(cc1Br)Cl)/C=C/C(=O)Nc1cnn(c1)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 C27H23BrClN3O3 MW 552.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23BrClN3O3/c1-34-25-10-7-19(13-21(25)18-35-26-11-9-22(29)14-24(26)28)8-12-27(33)31-23-15-30-32(17-23)16-20-5-3-2-4-6-20/h2-15,17H,16,18H2,1H3,(H,31,33)/b12-8+InChIKey
LLIFXTZYVJUOHJ-XYOKQWHBSA-NSynonyms
515858-38-5(2E)N(1benzyl1Hpyrazol4yl)3(3((2bromo4chlorophenoxy)methyl)4methoxyphenyl)prop2enamide
(E)N(1BENZYLPYRAZOL4YL)3(3((2BROMO4CHLOROPHENOXY)METHYL)4METHOXYPHENYL)PROP2ENAMIDE
515858385
COC1=C(C=C(C=C1)C=CC(=O)NC2=CN(N=C2)CC3=CC=CC=C3)COC4=C(C=C(C=C4)Cl)Br
COc1ccc(cc1COc1ccc(cc1Br)Cl)C=CC(=O)Nc1cnn(c1)Cc1ccccc1
InChI=1SC27H23BrClN3O3c1342510719(1321(25)18352611922(29)1424(26)28)81227(33)3123153032(1723)16205324620h21517H1618H21H3(H3133)b128+
MFCD02373544
N(1BENZYL1HPYRAZOL4YL)3(3((2BROMO4CHLOROPHENOXY)METHYL)4METHOXYPHENYL)ACRYLAMIDE
ZINC000002770314
ZINC02770314
ZINC2770314
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