Vitas-M small molecule compound
(4Z)-4-{[5-(2-bromophenyl)furan-2-yl]methylidene}-5-methyl-2-(3-methylphenyl)-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK123977
SMILES Cc1cccc(c1)N1N=C(/C(=C/c2ccc(o2)c2ccccc2Br)/C1=O)C
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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 C22H17BrN2O2 MW 421.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17BrN2O2/c1-14-6-5-7-16(12-14)25-22(26)19(15(2)24-25)13-17-10-11-21(27-17)18-8-3-4-9-20(18)23/h3-13H,1-2H3/b19-13-InChIKey
ZAVSURCFVVPGAN-UYRXBGFRSA-NSynonyms
(4Z)4((5(2BROMOPHENYL)FURAN2YL)METHYLIDENE)5METHYL2(3METHYLPHENYL)24DIHYDRO3HPYRAZOL3ONE
(4Z)4((5(2BROMOPHENYL)FURAN2YL)METHYLIDENE)5METHYL2(3METHYLPHENYL)PYRAZOL3ONE
CC1=CC(=CC=C1)N2C(=O)C(=CC3=CC=C(O3)C4=CC=CC=C4Br)C(=N2)C
Cc1cccc(c1)N1N=C(C(=Cc2ccc(o2)c2ccccc2Br)C1=O)C
InChI=1SC22H17BrN2O2c11465716(1214)2522(26)19(15(2)2425)1317101121(2717)18834920(18)23h313H12H3b1913
MFCD03924333
ZINC000012630374
ZINC12630374
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