Vitas-M small molecule compound

methyl 3-{3-[(1E)-2-cyano-3-oxo-3-(4-phenylpiperazin-1-yl)prop-1-en-1-yl]-2,5-dimethyl-1H-pyrrol-1-yl}-4-methylbenzoate

Catalog ID
STK183134
SMILES N#C/C(=C\c1cc(n(c1C)c1cc(ccc1C)C(=O)OC)C)/C(=O)N1CCN(CC1)c1ccccc1

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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 C29H30N4O3 MW 482.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H30N4O3/c1-20-10-11-23(29(35)36-4)18-27(20)33-21(2)16-24(22(33)3)17-25(19-30)28(34)32-14-12-31(13-15-32)26-8-6-5-7-9-26/h5-11,16-18H,12-15H2,1-4H3/b25-17+
InChIKey
HEFAKUGJCYYUNG-KOEQRZSOSA-N
Synonyms

(E)methyl3(3(2cyano3oxo3(4phenylpiperazin1yl)prop1en1yl)25dimethyl1Hpyrrol1yl)4methylbenzoate
CC1=C(C=C(C=C1)C(=O)OC)N2C(=CC(=C2C)C=C(C#N)C(=O)N3CCN(CC3)C4=CC=CC=C4)C
InChI=1SC29H30N4O3c120101123(29(35)364)1827(20)3321(2)1624(22(33)3)1725(1930)28(34)32141231(131532)268657926h5111618H1215H214H3b2517+
METHYL3(3((1E)2CYANO3OXO3(4PHENYLPIPERAZIN1YL)PROP1EN1YL)25DIMETHYL1HPYRROL1YL)4METHYLBENZOATE
METHYL3(3((1E)2CYANO3OXO3(4PHENYLPIPERAZINYL)PROP1ENYL)25DIMETHYLPYRROLYL)4METHYLBENZOATE
METHYL3(3((E)2CYANO3OXO3(4PHENYLPIPERAZIN1YL)PROP1ENYL)25DIMETHYLPYRROL1YL)4METHYLBENZOATE
MFCD02602746
N#CC(=Cc1cc(n(c1C)c1cc(ccc1C)C(=O)OC)C)C(=O)N1CCN(CC1)c1ccccc1
ZINC000002252148
ZINC02252148
ZINC2252148

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Available files

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