Vitas-M small molecule compound

(2E)-3-[5-(4-chloro-2-nitrophenyl)furan-2-yl]-2-(3,4-dihydroisoquinolin-2(1H)-ylcarbonyl)prop-2-enenitrile

Catalog ID
STK380685
SMILES N#C/C(=C\c1ccc(o1)c1ccc(cc1[N+](=O)[O-])Cl)/C(=O)N1CCc2c(C1)cccc2

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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 C23H16ClN3O4 MW 433.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H16ClN3O4/c24-18-5-7-20(21(12-18)27(29)30)22-8-6-19(31-22)11-17(13-25)23(28)26-10-9-15-3-1-2-4-16(15)14-26/h1-8,11-12H,9-10,14H2/b17-11+
InChIKey
ZCGXDPKCWMGEKE-GZTJUZNOSA-N
Synonyms

(2E)3(5(4chloro2nitrophenyl)furan2yl)2(34dihydroisoquinolin2(1H)ylcarbonyl)prop2enenitrile
(E)3(5(4CHLORO2NITROPHENYL)FURAN2YL)2(34DIHYDRO1HISOQUINOLINE2CARBONYL)PROP2ENENITRILE
C1CN(CC2=CC=CC=C21)C(=O)C(=CC3=CC=C(O3)C4=C(C=C(C=C4)Cl)(N+)(=O)(O))C#N
InChI=1SC23H16ClN3O4c24185720(21(1218)27(29)30)228619(3122)1117(1325)23(28)2610915312416(15)1426h181112H91014H2b1711+
MFCD02314446
N#CC(=Cc1ccc(o1)c1ccc(cc1(N+)(=O)(O))Cl)C(=O)N1CCc2c(C1)cccc2
ZINC000008721533
ZINC08721533
ZINC8721533

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Available files

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