Vitas-M small molecule compound
(2-ethoxy-4-{(E)-[1-(4-iodophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}phenoxy)acetonitrile
Catalog ID
STL172216
SMILES CCOc1cc(ccc1OCC#N)/C=C/1\C(=NN(C1=O)c1ccc(cc1)I)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 C21H18IN3O3 MW 487.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18IN3O3/c1-3-27-20-13-15(4-9-19(20)28-11-10-23)12-18-14(2)24-25(21(18)26)17-7-5-16(22)6-8-17/h4-9,12-13H,3,11H2,1-2H3/b18-12+InChIKey
LUZNTWLADURITK-LDADJPATSA-NSynonyms
(2ethoxy4((E)(1(4iodophenyl)3methyl5oxo15dihydro4Hpyrazol4ylidene)methyl)phenoxy)acetonitrile
2(2ethoxy4((E)(1(4iodophenyl)3methyl5oxopyrazol4ylidene)methyl)phenoxy)acetonitrile
CCOC1=C(C=CC(=C1)C=C2C(=NN(C2=O)C3=CC=C(C=C3)I)C)OCC#N
CCOc1cc(ccc1OCC#N)C=C1C(=NN(C1=O)c1ccc(cc1)I)C
InChI=1SC21H18IN3O3c1327201315(4919(20)28111023)121814(2)2425(21(18)26)177516(22)6817h491213H311H212H3b1812+
MFCD04047477
ZINC000013914759
ZINC13914759
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