Vitas-M small molecule compound
pentyl (3aR,8bR)-10-amino-11-cyano-2-methyl-4-oxo-4H-8b,3a-(epoxyetheno)indeno[1,2-b]furan-3-carboxylate
Catalog ID
STK051246
SMILES CCCCCOC(=O)C1=C(C)O[C@@]23[C@@]1(C(=C(O2)N)C#N)C(=O)c1c3cccc1
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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 C21H20N2O5 MW 380.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N2O5/c1-3-4-7-10-26-19(25)16-12(2)27-21-14-9-6-5-8-13(14)17(24)20(16,21)15(11-22)18(23)28-21/h5-6,8-9H,3-4,7,10,23H2,1-2H3/t20-,21-/m1/s1InChIKey
QTVDYIBHIZKRJG-NHCUHLMSSA-NSynonyms
CCCCCOC(=O)C1=C(C)O(C@@)23(C@@)1(C(=C(O2)N)C#N)C(=O)c1c3cccc1
CCCCCOC(=O)C1=C(OC23C1(C(=C(O2)N)C#N)C(=O)C4=CC=CC=C34)C
InChI=1SC21H20N2O5c1347102619(25)1612(2)272114965813(14)17(24)20(1621)15(1122)18(23)2821h5689H3471023H212H3t2021m1s1
MFCD12405295
PENTYL(3AR8BR)10AMINO11CYANO2METHYL4OXO4H8B3A(EPOXYETHENO)INDENO(12B)FURAN3CARBOXYLATE
STK051246
ZINC000004505814
ZINC04505814
ZINC4505814
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