Vitas-M small molecule compound
2-{[2-(3,4-diethoxyphenyl)ethyl]amino}-4-(methoxymethyl)-6-methyl-5-nitropyridine-3-carbonitrile
Catalog ID
STK785411
SMILES COCc1c(C#N)c(NCCc2ccc(c(c2)OCC)OCC)nc(c1[N+](=O)[O-])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 C21H26N4O5 MW 414.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H26N4O5/c1-5-29-18-8-7-15(11-19(18)30-6-2)9-10-23-21-16(12-22)17(13-28-4)20(25(26)27)14(3)24-21/h7-8,11H,5-6,9-10,13H2,1-4H3,(H,23,24)InChIKey
ATILEKQDISGKSC-UHFFFAOYSA-NSynonyms
2((2(34diethoxyphenyl)ethyl)amino)4(methoxymethyl)6methyl5nitropyridine3carbonitrile
2(2(34DIETHOXYPHENYL)ETHYLAMINO)4(METHOXYMETHYL)6METHYL5NITROPYRIDINE3CARBONITRILE
CCOC1=C(C=C(C=C1)CCNC2=NC(=C(C(=C2C#N)COC)(N+)(=O)(O))C)OCC
COCc1c(C#N)c(NCCc2ccc(c(c2)OCC)OCC)nc(c1(N+)(=O)(O))C
InChI=1SC21H26N4O5c1529188715(1119(18)3062)910232116(1222)17(13284)20(25(26)27)14(3)2421h7811H5691013H214H3(H2324)
MFCD07658609
ZINC000019933509
ZINC19933509
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