Vitas-M small molecule compound
(4E)-4-({[2-(dimethylamino)-2-(thiophen-2-yl)ethyl]amino}methylidene)-2-(3-methoxyphenyl)isoquinoline-1,3(2H,4H)-dione
Catalog ID
STL350889
SMILES COc1cccc(c1)N1C(=O)/C(=C/NCC(c2cccs2)N(C)C)/c2c(C1=O)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 C25H25N3O3S MW 447.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25N3O3S/c1-27(2)22(23-12-7-13-32-23)16-26-15-21-19-10-4-5-11-20(19)24(29)28(25(21)30)17-8-6-9-18(14-17)31-3/h4-15,22,26H,16H2,1-3H3/b21-15+InChIKey
GUPSYCXHTUQPLE-RCCKNPSSSA-NSynonyms
(4E)4(((2(dimethylamino)2(thiophen2yl)ethyl)amino)methylidene)2(3methoxyphenyl)isoquinoline13(2H4H)dione
(4E)4(((2(dimethylamino)2thiophen2ylethyl)amino)methylidene)2(3methoxyphenyl)isoquinoline13dione
(E)4(((2(dimethylamino)2(thiophen2yl)ethyl)amino)methylene)2(3methoxyphenyl)isoquinoline13(2H4H)dione
CN(C)C(CNC=C1C2=CC=CC=C2C(=O)N(C1=O)C3=CC(=CC=C3)OC)C4=CC=CS4
COc1cccc(c1)N1C(=O)C(=CNCC(c2cccs2)N(C)C)c2c(C1=O)cccc2
InChI=1SC25H25N3O3Sc127(2)22(23127133223)162615211910451120(19)24(29)28(25(21)30)1786918(1417)313h4152226H16H213H3b2115+
MFCD09852788
ZINC000020664575
ZINC000020664578
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