Vitas-M small molecule compound

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

Catalog ID
STK161552
SMILES COC(=O)C1=C(C)N(C(=O)/C/1=C\c1cc(n(c1C)c1ccc(cc1)OC)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 C29H34N2O4 MW 474.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H34N2O4/c1-19-17-23(20(2)31(19)24-11-13-25(34-4)14-12-24)18-26-27(29(33)35-5)21(3)30(28(26)32)16-15-22-9-7-6-8-10-22/h9,11-14,17-18H,6-8,10,15-16H2,1-5H3/b26-18-
InChIKey
MPDNJISKHXQQDN-ITYLOYPMSA-N
Synonyms

CC1=CC(=C(N1C2=CC=C(C=C2)OC)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)c1ccc(cc1)OC)C)CCC1=CCCCC1
InChI=1SC29H34N2O4c1191723(20(2)31(19)24111325(344)141224)182627(29(33)355)21(3)30(28(26)32)16152297681022h911141718H68101516H215H3b2618
METHYL(4Z)1(2(CYCLOHEX1EN1YL)ETHYL)4((1(4METHOXYPHENYL)25DIMETHYL1HPYRROL3YL)METHYLIDENE)2METHYL5OXO45DIHYDRO1HPYRROLE3CARBOXYLATE
METHYL(4Z)1(2(CYCLOHEXEN1YL)ETHYL)4((1(4METHOXYPHENYL)25DIMETHYLPYRROL3YL)METHYLIDENE)2METHYL5OXOPYRROLE3CARBOXYLATE
MFCD03259363
ZINC000014009613
ZINC14009613

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Available files

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