Vitas-M small molecule compound

2-(2,5-dichlorophenyl)-5-[(2Z)-2-(7,8-dihydro[1,3]dioxolo[4,5-g]isoquinolin-5(6H)-ylidene)acetyl]-1H-isoindole-1,3(2H)-dione

Catalog ID
STK613767
SMILES Clc1ccc(c(c1)N1C(=O)c2c(C1=O)ccc(c2)C(=O)/C=C/1\NCCc2c1cc1OCOc1c2)Cl

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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 C26H16Cl2N2O5 MW 507.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H16Cl2N2O5/c27-15-2-4-19(28)21(9-15)30-25(32)16-3-1-14(7-18(16)26(30)33)22(31)11-20-17-10-24-23(34-12-35-24)8-13(17)5-6-29-20/h1-4,7-11,29H,5-6,12H2/b20-11-
InChIKey
JXAOCBXZGLHXGO-JAIQZWGSSA-N
Synonyms
903191-30-0
(Z)2(25dichlorophenyl)5(2(78dihydro(13)dioxolo(45g)isoquinolin5(6H)ylidene)acetyl)isoindoline13dione
2(25dichlorophenyl)5((2Z)2(78dihydro(13)dioxolo(45g)isoquinolin5(6H)ylidene)acetyl)1Hisoindole13(2H)dione
2(25dichlorophenyl)5((2Z)2(78dihydro6H(13)dioxolo(45g)isoquinolin5ylidene)acetyl)isoindole13dione
903191300
C1CNC(=CC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C4=C(C=CC(=C4)Cl)Cl)C5=CC6=C(C=C51)OCO6
Clc1ccc(c(c1)N1C(=O)c2c(C1=O)ccc(c2)C(=O)C=C1NCCc2c1cc1OCOc1c2)Cl
InChI=1SC26H16Cl2N2O5c27152419(28)21(915)3025(32)163114(718(16)26(30)33)22(31)112017102423(34123524)813(17)562920h1471129H5612H2b2011
MFCD08287249
ZINC000013606996
ZINC13606996

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Available files

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