Vitas-M small molecule compound

methyl (4Z)-1-[2-(cyclohex-1-en-1-yl)ethyl]-4-{[1-(2,6-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate

Catalog ID
STL371798
SMILES COC(=O)C1=C(C)N(C(=O)/C/1=C\c1cc(n(c1C)c1c(C)cccc1C)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 C30H36N2O3 MW 472.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H36N2O3/c1-19-11-10-12-20(2)28(19)32-21(3)17-25(22(32)4)18-26-27(30(34)35-6)23(5)31(29(26)33)16-15-24-13-8-7-9-14-24/h10-13,17-18H,7-9,14-16H2,1-6H3/b26-18-
InChIKey
ATNBIFKINFTNDE-ITYLOYPMSA-N
Synonyms

CC1=C(C(=CC=C1)C)N2C(=CC(=C2C)C=C3C(=C(N(C3=O)CCC4=CCCCC4)C)C(=O)OC)C
COC(=O)C1=C(C)N(C(=O)C1=Cc1cc(n(c1C)c1c(C)cccc1C)C)CCC1=CCCCC1
InChI=1SC30H36N2O3c11911101220(2)28(19)3221(3)1725(22(32)4)182627(30(34)356)23(5)31(29(26)33)161524138791424h10131718H791416H216H3b2618
methyl(4Z)1(2(cyclohex1en1yl)ethyl)4((1(26dimethylphenyl)25dimethyl1Hpyrrol3yl)methylidene)2methyl5oxo45dihydro1Hpyrrole3carboxylate
METHYL(4Z)1(2(CYCLOHEXEN1YL)ETHYL)4((1(26DIMETHYLPHENYL)25DIMETHYLPYRROL3YL)METHYLIDENE)2METHYL5OXOPYRROLE3CARBOXYLATE
MFCD03251534
ZINC000016362407
ZINC16362407

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Available files

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