Vitas-M small molecule compound
methyl (4Z)-1-[2-(cyclohex-1-en-1-yl)ethyl]-4-{[1-(3,5-dichlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Catalog ID
STK160583
SMILES COC(=O)C1=C(C)N(C(=O)/C/1=C\c1cc(n(c1C)c1cc(Cl)cc(c1)Cl)C)CCC1=CCCCC1
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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 C28H30Cl2N2O3 MW 513.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30Cl2N2O3/c1-17-12-21(18(2)32(17)24-15-22(29)14-23(30)16-24)13-25-26(28(34)35-4)19(3)31(27(25)33)11-10-20-8-6-5-7-9-20/h8,12-16H,5-7,9-11H2,1-4H3/b25-13-InChIKey
ZGIXYUFWFMMFQO-MXAYSNPKSA-NSynonyms
CC1=CC(=C(N1C2=CC(=CC(=C2)Cl)Cl)C)C=C3C(=C(N(C3=O)CCC4=CCCCC4)C)C(=O)OC
COC(=O)C1=C(C)N(C(=O)C1=Cc1cc(n(c1C)c1cc(Cl)cc(c1)Cl)C)CCC1=CCCCC1
InChI=1SC28H30Cl2N2O3c1171221(18(2)32(17)241522(29)1423(30)1624)132526(28(34)354)19(3)31(27(25)33)1110208657920h81216H57911H214H3b2513
METHYL(4Z)1(2(CYCLOHEX1EN1YL)ETHYL)4((1(35DICHLOROPHENYL)25DIMETHYL1HPYRROL3YL)METHYLIDENE)2METHYL5OXO45DIHYDRO1HPYRROLE3CARBOXYLATE
METHYL(4Z)1(2(CYCLOHEXEN1YL)ETHYL)4((1(35DICHLOROPHENYL)25DIMETHYLPYRROL3YL)METHYLIDENE)2METHYL5OXOPYRROLE3CARBOXYLATE
MFCD06615223
ZINC000009845915
ZINC09845915
ZINC9845915
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.