Vitas-M small molecule compound
methyl (4Z)-4-[(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)methylidene]-2-methyl-5-oxo-1-[4-(propan-2-yl)phenyl]-4,5-dihydro-1H-pyrrole-3-carboxylate
Catalog ID
STK165145
SMILES COC(=O)C1=C(C)N(C(=O)/C/1=C\c1cc(n(c1C)c1ccccc1)C)c1ccc(cc1)C(C)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 C29H30N2O3 MW 454.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H30N2O3/c1-18(2)22-12-14-25(15-13-22)31-21(5)27(29(33)34-6)26(28(31)32)17-23-16-19(3)30(20(23)4)24-10-8-7-9-11-24/h7-18H,1-6H3/b26-17-InChIKey
PEBZZESPPKDMSQ-ONUIUJJFSA-NSynonyms
CC1=CC(=C(N1C2=CC=CC=C2)C)C=C3C(=C(N(C3=O)C4=CC=C(C=C4)C(C)C)C)C(=O)OC
COC(=O)C1=C(C)N(C(=O)C1=Cc1cc(n(c1C)c1ccccc1)C)c1ccc(cc1)C(C)C
InChI=1SC29H30N2O3c118(2)22121425(151322)3121(5)27(29(33)346)26(28(31)32)17231619(3)30(20(23)4)24108791124h718H16H3b2617
METHYL(4Z)4((25DIMETHYL1PHENYL1HPYRROL3YL)METHYLIDENE)2METHYL5OXO1(4(PROPAN2YL)PHENYL)45DIHYDRO1HPYRROLE3CARBOXYLATE
METHYL(4Z)4((25DIMETHYL1PHENYLPYRROL3YL)METHYLIDENE)2METHYL5OXO1(4PROPAN2YLPHENYL)PYRROLE3CARBOXYLATE
METHYL4((25DIMETHYL1PHENYL1HPYRROL3YL)METHYLENE)1(4ISOPROPYLPHENYL)2METHYL5OXO45DIHYDRO1HPYRROLE3CARBOXYLATE
MFCD03068004
ZINC000014010057
ZINC14010057
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.