Vitas-M small molecule compound
methyl 6-amino-4-{5-[(4-bromophenoxy)methyl]furan-2-yl}-5-cyano-2-methyl-4H-pyran-3-carboxylate
Catalog ID
STL173562
SMILES COC(=O)C1=C(C)OC(=C(C1c1ccc(o1)COc1ccc(cc1)Br)C#N)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 C20H17BrN2O5 MW 445.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17BrN2O5/c1-11-17(20(24)25-2)18(15(9-22)19(23)27-11)16-8-7-14(28-16)10-26-13-5-3-12(21)4-6-13/h3-8,18H,10,23H2,1-2H3InChIKey
GTGUVYLPUNUNFQ-UHFFFAOYSA-NSynonyms
445231-39-0445231390
CC1=C(C(C(=C(O1)N)C#N)C2=CC=C(O2)COC3=CC=C(C=C3)Br)C(=O)OC
InChI=1SC20H17BrN2O5c11117(20(24)252)18(15(922)19(23)2711)168714(2816)1026135312(21)4613h3818H1023H212H3
methyl6amino4(5((4bromophenoxy)methyl)furan2yl)5cyano2methyl4Hpyran3carboxylate
MFCD02175583
ZINC000001003127
ZINC000001003128
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