Vitas-M small molecule compound

methyl (4Z)-4-{[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1-(3-methoxypropyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate

Catalog ID
STK161525
SMILES COCCCN1C(=O)/C(=C\c2cc(n(c2C)c2ccc(cc2)F)C)/C(=C1C)C(=O)OC

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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 C24H27FN2O4 MW 426.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H27FN2O4/c1-15-13-18(16(2)27(15)20-9-7-19(25)8-10-20)14-21-22(24(29)31-5)17(3)26(23(21)28)11-6-12-30-4/h7-10,13-14H,6,11-12H2,1-5H3/b21-14-
InChIKey
ZTVCCNCOWIALKJ-STZFKDTASA-N
Synonyms

CC1=CC(=C(N1C2=CC=C(C=C2)F)C)C=C3C(=C(N(C3=O)CCCOC)C)C(=O)OC
COCCCN1C(=O)C(=Cc2cc(n(c2C)c2ccc(cc2)F)C)C(=C1C)C(=O)OC
InChI=1SC24H27FN2O4c1151318(16(2)27(15)209719(25)81020)142122(24(29)315)17(3)26(23(21)28)11612304h7101314H61112H215H3b2114
METHYL(4Z)4((1(4FLUOROPHENYL)25DIMETHYL1HPYRROL3YL)METHYLIDENE)1(3METHOXYPROPYL)2METHYL5OXO45DIHYDRO1HPYRROLE3CARBOXYLATE
METHYL(4Z)4((1(4FLUOROPHENYL)25DIMETHYLPYRROL3YL)METHYLIDENE)1(3METHOXYPROPYL)2METHYL5OXOPYRROLE3CARBOXYLATE
MFCD03261615
ZINC000002813935
ZINC02813935
ZINC2813935

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.