Vitas-M small molecule compound
(2E)-3-{3-[(2-bromophenoxy)methyl]-4-methoxyphenyl}-1-(1-ethyl-1H-pyrazol-3-yl)prop-2-en-1-one
Catalog ID
STL402041
SMILES COc1ccc(cc1COc1ccccc1Br)/C=C/C(=O)c1ccn(n1)CC
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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 C22H21BrN2O3 MW 441.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21BrN2O3/c1-3-25-13-12-19(24-25)20(26)10-8-16-9-11-21(27-2)17(14-16)15-28-22-7-5-4-6-18(22)23/h4-14H,3,15H2,1-2H3/b10-8+InChIKey
KIMMQRYZDSYUGN-CSKARUKUSA-NSynonyms
1005617-05-9(2E)3(3((2bromophenoxy)methyl)4methoxyphenyl)1(1ethyl1Hpyrazol3yl)prop2en1one
(E)3(3((2bromophenoxy)methyl)4methoxyphenyl)1(1ethylpyrazol3yl)prop2en1one
1005617059
CCN1C=CC(=N1)C(=O)C=CC2=CC(=C(C=C2)OC)COC3=CC=CC=C3Br
COc1ccc(cc1COc1ccccc1Br)C=CC(=O)c1ccn(n1)CC
InChI=1SC22H21BrN2O3c1325131219(2425)20(26)1081691121(272)17(1416)152822754618(22)23h414H315H212H3b108+
MFCD04136146
ZINC000019633259
ZINC19633259
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