Vitas-M small molecule compound

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

Catalog ID
STK092648
SMILES COC(=O)C1=C(C)N(C(=O)/C/1=C\c1cc(n(c1C)c1ccc(cc1)C)C)c1ccc(cc1)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 C28H28N2O4 MW 456.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28N2O4/c1-17-7-9-22(10-8-17)29-18(2)15-21(19(29)3)16-25-26(28(32)34-6)20(4)30(27(25)31)23-11-13-24(33-5)14-12-23/h7-16H,1-6H3/b25-16-
InChIKey
SAAHPDYJAURWHB-XYGWBWBKSA-N
Synonyms

CC1=CC=C(C=C1)N2C(=CC(=C2C)C=C3C(=C(N(C3=O)C4=CC=C(C=C4)OC)C)C(=O)OC)C
COC(=O)C1=C(C)N(C(=O)C1=Cc1cc(n(c1C)c1ccc(cc1)C)C)c1ccc(cc1)OC
InChI=1SC28H28N2O4c1177922(10817)2918(2)1521(19(29)3)162526(28(32)346)20(4)30(27(25)31)23111324(335)141223h716H16H3b2516
METHYL(4Z)4((25DIMETHYL1(4METHYLPHENYL)1HPYRROL3YL)METHYLIDENE)1(4METHOXYPHENYL)2METHYL5OXO45DIHYDRO1HPYRROLE3CARBOXYLATE
METHYL(4Z)4((25DIMETHYL1(4METHYLPHENYL)PYRROL3YL)METHYLIDENE)1(4METHOXYPHENYL)2METHYL5OXOPYRROLE3CARBOXYLATE
METHYL4((25DIMETHYL1(4METHYLPHENYL)1HPYRROL3YL)METHYLENE)1(4METHOXYPHENYL)2METHYL5OXO45DIHYDRO1HPYRROLE3CARBOXYLATE
MFCD03067978
STK092648
ZINC000013895000
ZINC13895000

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Available files

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