Vitas-M small molecule compound
ethyl 3-{2,5-dimethyl-3-[(E)-(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]-1H-pyrrol-1-yl}benzoate
Catalog ID
STK161334
SMILES CCOC(=O)c1cccc(c1)n1c(C)cc(c1C)/C=C/1\C(=NN(C1=O)c1ccccc1)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 C26H25N3O3 MW 427.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25N3O3/c1-5-32-26(31)20-10-9-13-23(15-20)28-17(2)14-21(19(28)4)16-24-18(3)27-29(25(24)30)22-11-7-6-8-12-22/h6-16H,5H2,1-4H3/b24-16+InChIKey
NPAFLOKDLZQKPK-LFVJCYFKSA-NSynonyms
441738-40-5441738405
CCOC(=O)C1=CC(=CC=C1)N2C(=CC(=C2C)C=C3C(=NN(C3=O)C4=CC=CC=C4)C)C
CCOC(=O)c1cccc(c1)n1c(C)cc(c1C)C=C1C(=NN(C1=O)c1ccccc1)C
ETHYL3(25DIMETHYL3((E)(3METHYL5OXO1PHENYL15DIHYDRO4HPYRAZOL4YLIDENE)METHYL)1HPYRROL1YL)BENZOATE
ETHYL3(25DIMETHYL3((E)(3METHYL5OXO1PHENYLPYRAZOL4YLIDENE)METHYL)PYRROL1YL)BENZOATE
InChI=1SC26H25N3O3c153226(31)201091323(1520)2817(2)1421(19(28)4)162418(3)2729(25(24)30)22117681222h616H5H214H3b2416+
MFCD02611707
ZINC000009311516
ZINC09311516
ZINC9311516
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