Vitas-M small molecule compound
3-methylbutyl (2E)-2-cyano-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-enoate
Catalog ID
STK952417
SMILES CC(CCOC(=O)/C(=C/c1ccc(o1)c1ccc(cc1)[N+](=O)[O-])/C#N)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 C19H18N2O5 MW 354.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18N2O5/c1-13(2)9-10-25-19(22)15(12-20)11-17-7-8-18(26-17)14-3-5-16(6-4-14)21(23)24/h3-8,11,13H,9-10H2,1-2H3/b15-11+InChIKey
PIBNBFWYLLTNLM-RVDMUPIBSA-NSynonyms
3METHYLBUTYL(2E)2CYANO3(5(4NITROPHENYL)(2FURYL))PROP2ENOATE
3methylbutyl(2E)2cyano3(5(4nitrophenyl)furan2yl)prop2enoate
3methylbutyl(E)2cyano3(5(4nitrophenyl)furan2yl)prop2enoate
CC(C)CCOC(=O)C(=CC1=CC=C(O1)C2=CC=C(C=C2)(N+)(=O)(O))C#N
CC(CCOC(=O)C(=Cc1ccc(o1)c1ccc(cc1)(N+)(=O)(O))C#N)C
InChI=1SC19H18N2O5c113(2)9102519(22)15(1220)11177818(2617)143516(6414)21(23)24h381113H910H212H3b1511+
MFCD01918510
ZINC000005214612
ZINC05214612
ZINC5214612
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