Vitas-M small molecule compound
butyl (2E)-3-[5-(4-chloro-3-nitrophenyl)furan-2-yl]-2-cyanoprop-2-enoate
Catalog ID
STK949439
SMILES CCCCOC(=O)/C(=C/c1ccc(o1)c1ccc(c(c1)[N+](=O)[O-])Cl)/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 C18H15ClN2O5 MW 374.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H15ClN2O5/c1-2-3-8-25-18(22)13(11-20)9-14-5-7-17(26-14)12-4-6-15(19)16(10-12)21(23)24/h4-7,9-10H,2-3,8H2,1H3/b13-9+InChIKey
KIGGQBLRLVHFGY-UKTHLTGXSA-NSynonyms
BUTYL(2E)3(5(4CHLORO3NITROPHENYL)(2FURYL))2CYANOPROP2ENOATE
butyl(2E)3(5(4chloro3nitrophenyl)furan2yl)2cyanoprop2enoate
BUTYL(E)3(5(4CHLORO3NITROPHENYL)FURAN2YL)2CYANOPROP2ENOATE
CCCCOC(=O)C(=CC1=CC=C(O1)C2=CC(=C(C=C2)Cl)(N+)(=O)(O))C#N
CCCCOC(=O)C(=Cc1ccc(o1)c1ccc(c(c1)(N+)(=O)(O))Cl)C#N
InChI=1SC18H15ClN2O5c12382518(22)13(1120)9145717(2614)124615(19)16(1012)21(23)24h47910H238H21H3b139+
MFCD02371064
ZINC000002669620
ZINC02669620
ZINC2669620
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