Vitas-M small molecule compound
methyl 2-({(1Z)-2-cyano-3-[(4-methoxybenzyl)amino]-3-oxoprop-1-en-1-yl}amino)-4,5-dimethoxybenzoate
Catalog ID
STK715970
SMILES COc1ccc(cc1)CNC(=O)/C(=C\Nc1cc(OC)c(cc1C(=O)OC)OC)/C#N
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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 C22H23N3O6 MW 425.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23N3O6/c1-28-16-7-5-14(6-8-16)12-25-21(26)15(11-23)13-24-18-10-20(30-3)19(29-2)9-17(18)22(27)31-4/h5-10,13,24H,12H2,1-4H3,(H,25,26)/b15-13-InChIKey
CVBOLKMEFJKVIF-SQFISAMPSA-NSynonyms
(E)methyl2((2cyano3((4methoxybenzyl)amino)3oxoprop1en1yl)amino)45dimethoxybenzoate
COC1=CC=C(C=C1)CNC(=O)C(=CNC2=CC(=C(C=C2C(=O)OC)OC)OC)C#N
COc1ccc(cc1)CNC(=O)C(=CNc1cc(OC)c(cc1C(=O)OC)OC)C#N
InChI=1SC22H23N3O6c128167514(6816)122521(26)15(1123)1324181020(303)19(292)917(18)22(27)314h5101324H12H214H3(H2526)b1513
methyl2(((1Z)2cyano3((4methoxybenzyl)amino)3oxoprop1en1yl)amino)45dimethoxybenzoate
methyl2(((Z)2cyano3((4methoxyphenyl)methylamino)3oxoprop1enyl)amino)45dimethoxybenzoate
MFCD07796185
ZINC000102673257
ZINC102673257
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