Vitas-M small molecule compound
(4E)-2-(2,5-dimethylphenyl)-4-({[(1-ethylpyrrolidin-2-yl)methyl]amino}methylidene)isoquinoline-1,3(2H,4H)-dione
Catalog ID
STK588967
SMILES CCN1CCCC1CN/C=C/1\c2ccccc2C(=O)N(C1=O)c1cc(C)ccc1C
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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/c1-4-27-13-7-8-19(27)15-26-16-22-20-9-5-6-10-21(20)24(29)28(25(22)30)23-14-17(2)11-12-18(23)3/h5-6,9-12,14,16,19,26H,4,7-8,13,15H2,1-3H3/b22-16+InChIKey
KOJJHCFJIIRFQB-CJLVFECKSA-NSynonyms
(4E)2(25dimethylphenyl)4((((1ethylpyrrolidin2yl)methyl)amino)methylidene)isoquinoline13(2H4H)dione
(4E)2(25DIMETHYLPHENYL)4(((1ETHYLPYRROLIDIN2YL)METHYLAMINO)METHYLIDENE)ISOQUINOLINE13DIONE
(E)2(25dimethylphenyl)4((((1ethylpyrrolidin2yl)methyl)amino)methylene)isoquinoline13(2H4H)dione
CCN1CCCC1CNC=C1c2ccccc2C(=O)N(C1=O)c1cc(C)ccc1C
CCN1CCCC1CNC=C2C3=CC=CC=C3C(=O)N(C2=O)C4=C(C=CC(=C4)C)C
InChI=1SC25H29N3O2c1427137819(27)15261622209561021(20)24(29)28(25(22)30)231417(2)111218(23)3h5691214161926H4781315H213H3b2216+
MFCD06606363
ZINC000020533157
ZINC000020533158
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