Vitas-M small molecule compound
(2E)-2-(1,3-benzodioxol-5-yl)-3-[5-(2-chloro-4-nitrophenyl)furan-2-yl]prop-2-enenitrile
Catalog ID
STK293062
SMILES N#C/C(=C/c1ccc(o1)c1ccc(cc1Cl)[N+](=O)[O-])/c1ccc2c(c1)OCO2
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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 C20H11ClN2O5 MW 394.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H11ClN2O5/c21-17-9-14(23(24)25)2-4-16(17)18-6-3-15(28-18)7-13(10-22)12-1-5-19-20(8-12)27-11-26-19/h1-9H,11H2/b13-7-InChIKey
JWOABCUDOQTDCL-QPEQYQDCSA-NSynonyms
(2E)2(13BENZODIOXOL5YL)3(5(2CHLORO4NITROPHENYL)FURAN2YL)PROP2ENENITRILE
(E)2(13BENZODIOXOL5YL)3(5(2CHLORO4NITROPHENYL)FURAN2YL)PROP2ENENITRILE
C1OC2=C(O1)C=C(C=C2)C(=CC3=CC=C(O3)C4=C(C=C(C=C4)(N+)(=O)(O))Cl)C#N
InChI=1SC20H11ClN2O5c2117914(23(24)25)2416(17)186315(2818)713(1022)12151920(812)27112619h19H11H2b137
MFCD05824544
N#CC(=Cc1ccc(o1)c1ccc(cc1Cl)(N+)(=O)(O))c1ccc2c(c1)OCO2
ZINC000016362184
ZINC16362184
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