Vitas-M small molecule compound
(2E)-3-(1,3-benzodioxol-5-yl)-2-(3-nitrophenyl)prop-2-enenitrile
Catalog ID
STK201482
SMILES N#C/C(=C/c1ccc2c(c1)OCO2)/c1cccc(c1)[N+](=O)[O-]
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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 C16H10N2O4 MW 294.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H10N2O4/c17-9-13(12-2-1-3-14(8-12)18(19)20)6-11-4-5-15-16(7-11)22-10-21-15/h1-8H,10H2/b13-6-InChIKey
RJPLWSDFDJIKDU-MLPAPPSSSA-NSynonyms
(2E)3(13BENZODIOXOL5YL)2(3NITROPHENYL)PROP2ENENITRILE
(E)3(13BENZODIOXOL5YL)2(3NITROPHENYL)PROP2ENENITRILE
C1OC2=C(O1)C=C(C=C2)C=C(C#N)C3=CC(=CC=C3)(N+)(=O)(O)
InChI=1SC16H10N2O4c17913(1221314(812)18(19)20)611451516(711)22102115h18H10H2b136
MFCD05997808
N#CC(=Cc1ccc2c(c1)OCO2)c1cccc(c1)(N+)(=O)(O)
ZINC000004739781
ZINC04739781
ZINC4739781
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