Vitas-M small molecule compound
methyl (4Z)-4-{[1-(3,5-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-methyl-5-oxo-1-(tetrahydrofuran-2-ylmethyl)-4,5-dihydro-1H-pyrrole-3-carboxylate
Catalog ID
STK161536
SMILES COC(=O)C1=C(C)N(C(=O)/C/1=C\c1cc(n(c1C)c1cc(C)cc(c1)C)C)CC1CCCO1
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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 C27H32N2O4 MW 448.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H32N2O4/c1-16-10-17(2)12-22(11-16)29-18(3)13-21(19(29)4)14-24-25(27(31)32-6)20(5)28(26(24)30)15-23-8-7-9-33-23/h10-14,23H,7-9,15H2,1-6H3/b24-14-InChIKey
BRXMBGITQONWKG-OYKKKHCWSA-NSynonyms
CC1=CC(=CC(=C1)N2C(=CC(=C2C)C=C3C(=C(N(C3=O)CC4CCCO4)C)C(=O)OC)C)C
COC(=O)C1=C(C)N(C(=O)C1=Cc1cc(n(c1C)c1cc(C)cc(c1)C)C)CC1CCCO1
InChI=1SC27H32N2O4c1161017(2)1222(1116)2918(3)1321(19(29)4)142425(27(31)326)20(5)28(26(24)30)15238793323h101423H7915H216H3b2414
METHYL(4Z)4((1(35DIMETHYLPHENYL)25DIMETHYL1HPYRROL3YL)METHYLIDENE)2METHYL5OXO1(TETRAHYDROFURAN2YLMETHYL)45DIHYDRO1HPYRROLE3CARBOXYLATE
METHYL(4Z)4((1(35DIMETHYLPHENYL)25DIMETHYLPYRROL3YL)METHYLIDENE)2METHYL5OXO1(OXOLAN2YLMETHYL)PYRROLE3CARBOXYLATE
MFCD03253314
ZINC000014009579
ZINC000014009582
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