Vitas-M small molecule compound

ethyl (2Z)-2-cyano-3-(4-{4-[2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl]piperazin-1-yl}phenyl)prop-2-enoate

Catalog ID
STK806692
SMILES CCOC(=O)/C(=C\c1ccc(cc1)N1CCN(CC1)CCn1c(=O)c2cccc3c2c(c1=O)ccc3)/C#N

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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 C30H28N4O4 MW 508.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H28N4O4/c1-2-38-30(37)23(20-31)19-21-9-11-24(12-10-21)33-16-13-32(14-17-33)15-18-34-28(35)25-7-3-5-22-6-4-8-26(27(22)25)29(34)36/h3-12,19H,2,13-18H2,1H3/b23-19-
InChIKey
VLMDSMCCGXJMCH-NMWGTECJSA-N
Synonyms
324774-78-9
324774789
CCOC(=O)C(=CC1=CC=C(C=C1)N2CCN(CC2)CCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O)C#N
CCOC(=O)C(=Cc1ccc(cc1)N1CCN(CC1)CCn1c(=O)c2cccc3c2c(c1=O)ccc3)C#N
ethyl(2Z)2cyano3(4(4(2(13dioxo1Hbenzo(de)isoquinolin2(3H)yl)ethyl)piperazin1yl)phenyl)prop2enoate
ETHYL(Z)2CYANO3(4(4(2(13DIOXOBENZO(DE)ISOQUINOLIN2YL)ETHYL)PIPERAZIN1YL)PHENYL)PROP2ENOATE
InChI=1SC30H28N4O4c123830(37)23(2031)192191124(121021)33161332(141733)15183428(35)257352264826(27(22)25)29(34)36h31219H21318H21H3b2319
MFCD01795324
ZINC000054278298
ZINC54278298

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Available files

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