Vitas-M small molecule compound
(4E)-4-({[2-(4-methoxyphenyl)ethyl]amino}methylidene)-2-(2-nitrophenyl)isoquinoline-1,3(2H,4H)-dione
Catalog ID
STK599981
SMILES COc1ccc(cc1)CCN/C=C/1\c2ccccc2C(=O)N(C1=O)c1ccccc1[N+](=O)[O-]
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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 C25H21N3O5 MW 443.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21N3O5/c1-33-18-12-10-17(11-13-18)14-15-26-16-21-19-6-2-3-7-20(19)24(29)27(25(21)30)22-8-4-5-9-23(22)28(31)32/h2-13,16,26H,14-15H2,1H3/b21-16+InChIKey
QTDXAXGZTSQUHO-LTGZKZEYSA-NSynonyms
(4E)4(((2(4methoxyphenyl)ethyl)amino)methylidene)2(2nitrophenyl)isoquinoline13(2H4H)dione
(4E)4((2(4methoxyphenyl)ethylamino)methylidene)2(2nitrophenyl)isoquinoline13dione
(E)4(((4methoxyphenethyl)amino)methylene)2(2nitrophenyl)isoquinoline13(2H4H)dione
COC1=CC=C(C=C1)CCNC=C2C3=CC=CC=C3C(=O)N(C2=O)C4=CC=CC=C4(N+)(=O)(O)
COc1ccc(cc1)CCNC=C1c2ccccc2C(=O)N(C1=O)c1ccccc1(N+)(=O)(O)
InChI=1SC25H21N3O5c13318121017(111318)141526162119623720(19)24(29)27(25(21)30)22845923(22)28(31)32h2131626H1415H21H3b2116+
MFCD06605784
ZINC000019881291
ZINC19881291
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