Vitas-M small molecule compound
methyl 4-[4-amino-5-cyano-3-(dicyanomethylidene)-2-methoxy-2,3-dihydrofuran-2-yl]-3,3-dimethylbutanoate
Catalog ID
STL434678
SMILES COC(=O)CC(CC1(OC)OC(=C(C1=C(C#N)C#N)N)C#N)(C)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 C16H18N4O4 MW 330.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H18N4O4/c1-15(2,5-12(21)22-3)9-16(23-4)13(10(6-17)7-18)14(20)11(8-19)24-16/h5,9,20H2,1-4H3InChIKey
RUMWYAAUBFWEFL-UHFFFAOYSA-NSynonyms
CC(C)(CC(=O)OC)CC1(C(=C(C#N)C#N)C(=C(O1)C#N)N)OC
InChI=1SC16H18N4O4c115(2512(21)223)916(234)13(10(617)718)14(20)11(819)2416h5920H214H3
methyl4(4amino5cyano3(dicyanomethylidene)2methoxy23dihydrofuran2yl)33dimethylbutanoate
methyl4(4amino5cyano3(dicyanomethylidene)2methoxyfuran2yl)33dimethylbutanoate
MFCD30711322
ZINC000100256790
ZINC000100256792
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