Vitas-M small molecule compound

(4E)-2-(3,5-dimethylphenyl)-4-({[(1-ethylpyrrolidin-2-yl)methyl]amino}methylidene)isoquinoline-1,3(2H,4H)-dione

Catalog ID
STK582286
SMILES CCN1CCCC1CN/C=C/1\c2ccccc2C(=O)N(C1=O)c1cc(C)cc(c1)C

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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 C25H29N3O2 MW 403.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H29N3O2/c1-4-27-11-7-8-19(27)15-26-16-23-21-9-5-6-10-22(21)24(29)28(25(23)30)20-13-17(2)12-18(3)14-20/h5-6,9-10,12-14,16,19,26H,4,7-8,11,15H2,1-3H3/b23-16+
InChIKey
FTUCIZNIMGFHOE-XQNSMLJCSA-N
Synonyms

(4E)2(35dimethylphenyl)4((((1ethylpyrrolidin2yl)methyl)amino)methylidene)isoquinoline13(2H4H)dione
(4E)2(35DIMETHYLPHENYL)4(((1ETHYLPYRROLIDIN2YL)METHYLAMINO)METHYLIDENE)ISOQUINOLINE13DIONE
(E)2(35dimethylphenyl)4((((1ethylpyrrolidin2yl)methyl)amino)methylene)isoquinoline13(2H4H)dione
CCN1CCCC1CNC=C1c2ccccc2C(=O)N(C1=O)c1cc(C)cc(c1)C
CCN1CCCC1CNC=C2C3=CC=CC=C3C(=O)N(C2=O)C4=CC(=CC(=C4)C)C
InChI=1SC25H29N3O2c1427117819(27)15261623219561022(21)24(29)28(25(23)30)201317(2)1218(3)1420h569101214161926H4781115H213H3b2316+
MFCD06591455
ZINC000019881353
ZINC000019881356

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Available files

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