Vitas-M small molecule compound
butyl 4-(5-{(1E)-2-cyano-3-[(2-nitrophenyl)amino]-3-oxoprop-1-en-1-yl}furan-2-yl)benzoate
Catalog ID
STK949961
SMILES CCCCOC(=O)c1ccc(cc1)c1ccc(o1)/C=C(/C(=O)Nc1ccccc1[N+](=O)[O-])\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 C25H21N3O6 MW 459.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21N3O6/c1-2-3-14-33-25(30)18-10-8-17(9-11-18)23-13-12-20(34-23)15-19(16-26)24(29)27-21-6-4-5-7-22(21)28(31)32/h4-13,15H,2-3,14H2,1H3,(H,27,29)/b19-15+InChIKey
CTYFXESBEYQMRM-XDJHFCHBSA-NSynonyms
BUTYL4(5((1E)2CYANO2(N(2NITROPHENYL)CARBAMOYL)VINYL)2FURYL)BENZOATE
butyl4(5((1E)2cyano3((2nitrophenyl)amino)3oxoprop1en1yl)furan2yl)benzoate
BUTYL4(5((E)2CYANO3(2NITROANILINO)3OXOPROP1ENYL)FURAN2YL)BENZOATE
CCCCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C=C(C#N)C(=O)NC3=CC=CC=C3(N+)(=O)(O)
CCCCOC(=O)c1ccc(cc1)c1ccc(o1)C=C(C(=O)Nc1ccccc1(N+)(=O)(O))C#N
InChI=1SC25H21N3O6c123143325(30)1810817(91118)23131220(3423)1519(1626)24(29)2721645722(21)28(31)32h41315H2314H21H3(H2729)b1915+
MFCD03040328
ZINC000012284785
ZINC12284785
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