Vitas-M small molecule compound
(4E)-2-(3,5-dimethylphenyl)-4-{[(2-hydroxyethyl)amino]methylidene}isoquinoline-1,3(2H,4H)-dione
Catalog ID
STK598667
SMILES OCCN/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 C20H20N2O3 MW 336.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N2O3/c1-13-9-14(2)11-15(10-13)22-19(24)17-6-4-3-5-16(17)18(20(22)25)12-21-7-8-23/h3-6,9-12,21,23H,7-8H2,1-2H3/b18-12+InChIKey
JANRANOUHJJTGX-LDADJPATSA-NSynonyms
(4E)2(35dimethylphenyl)4(((2hydroxyethyl)amino)methylidene)isoquinoline13(2H4H)dione
(4E)2(35DIMETHYLPHENYL)4((2HYDROXYETHYLAMINO)METHYLIDENE)ISOQUINOLINE13DIONE
(E)2(35dimethylphenyl)4(((2hydroxyethyl)amino)methylene)isoquinoline13(2H4H)dione
CC1=CC(=CC(=C1)N2C(=O)C3=CC=CC=C3C(=CNCCO)C2=O)C
InChI=1SC20H20N2O3c113914(2)1115(1013)2219(24)17643516(17)18(20(22)25)12217823h369122123H78H212H3b1812+
MFCD06598248
OCCNC=C1c2ccccc2C(=O)N(C1=O)c1cc(C)cc(c1)C
ZINC000006167614
ZINC6167614
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