Vitas-M small molecule compound

(2E)-3-[1-(2,3-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-[(4-phenylpiperazin-1-yl)carbonyl]prop-2-enenitrile

Catalog ID
STK183603
SMILES N#C/C(=C\c1cc(n(c1C)c1cccc(c1C)C)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 C28H30N4O MW 438.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30N4O/c1-20-9-8-12-27(22(20)3)32-21(2)17-24(23(32)4)18-25(19-29)28(33)31-15-13-30(14-16-31)26-10-6-5-7-11-26/h5-12,17-18H,13-16H2,1-4H3/b25-18+
InChIKey
RALDFEOZBNDJEG-XIEYBQDHSA-N
Synonyms

(2E)3(1(23DIMETHYLPHENYL)25DIMETHYL1HPYRROL3YL)2((4PHENYLPIPERAZIN1YL)CARBONYL)PROP2ENENITRILE
(E)3(1(23DIMETHYLPHENYL)25DIMETHYLPYRROL3YL)2(4PHENYLPIPERAZINE1CARBONYL)PROP2ENENITRILE
CC1=C(C(=CC=C1)N2C(=CC(=C2C)C=C(C#N)C(=O)N3CCN(CC3)C4=CC=CC=C4)C)C
InChI=1SC28H30N4Oc120981227(22(20)3)3221(2)1724(23(32)4)1825(1929)28(33)31151330(141631)26106571126h5121718H1316H214H3b2518+
MFCD04308434
N#CC(=Cc1cc(n(c1C)c1cccc(c1C)C)C)C(=O)N1CCN(CC1)c1ccccc1
ZINC000001096861
ZINC01096861
ZINC1096861

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Available files

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