Vitas-M small molecule compound
methyl (4Z)-4-{[1-(3-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1-cyclohexyl-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Catalog ID
STK168567
SMILES COC(=O)C1=C(C)N(C(=O)/C/1=C\c1cc(n(c1C)c1cccc(c1)Cl)C)C1CCCCC1
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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 C26H29ClN2O3 MW 452.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H29ClN2O3/c1-16-13-19(17(2)28(16)22-12-8-9-20(27)15-22)14-23-24(26(31)32-4)18(3)29(25(23)30)21-10-6-5-7-11-21/h8-9,12-15,21H,5-7,10-11H2,1-4H3/b23-14-InChIKey
KARCMYQLBSCEPR-UCQKPKSFSA-NSynonyms
CC1=CC(=C(N1C2=CC(=CC=C2)Cl)C)C=C3C(=C(N(C3=O)C4CCCCC4)C)C(=O)OC
COC(=O)C1=C(C)N(C(=O)C1=Cc1cc(n(c1C)c1cccc(c1)Cl)C)C1CCCCC1
InChI=1SC26H29ClN2O3c1161319(17(2)28(16)22128920(27)1522)142324(26(31)324)18(3)29(25(23)30)21106571121h89121521H571011H214H3b2314
METHYL(4Z)4((1(3CHLOROPHENYL)25DIMETHYL1HPYRROL3YL)METHYLIDENE)1CYCLOHEXYL2METHYL5OXO45DIHYDRO1HPYRROLE3CARBOXYLATE
METHYL(4Z)4((1(3CHLOROPHENYL)25DIMETHYLPYRROL3YL)METHYLIDENE)1CYCLOHEXYL2METHYL5OXOPYRROLE3CARBOXYLATE
METHYL4((1(3CHLOROPHENYL)25DIMETHYL1HPYRROL3YL)METHYLENE)1CYCLOHEXYL2METHYL5OXO45DIHYDRO1HPYRROLE3CARBOXYLATE
MFCD02954482
ZINC000014010598
ZINC14010598
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.