Vitas-M small molecule compound
(2Z)-2-(4-chlorophenyl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enenitrile
Catalog ID
STK201098
SMILES N#C/C(=C\c1cc2OCOc2cc1[N+](=O)[O-])/c1ccc(cc1)Cl
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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 C16H9ClN2O4 MW 328.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H9ClN2O4/c17-13-3-1-10(2-4-13)12(8-18)5-11-6-15-16(23-9-22-15)7-14(11)19(20)21/h1-7H,9H2/b12-5+InChIKey
WPTFSSJIEUABBQ-LFYBBSHMSA-NSynonyms
(2Z)2(4CHLOROPHENYL)3(6NITRO13BENZODIOXOL5YL)PROP2ENENITRILE
(Z)2(4CHLOROPHENYL)3(6NITRO13BENZODIOXOL5YL)PROP2ENENITRILE
C1OC2=C(O1)C=C(C(=C2)C=C(C#N)C3=CC=C(C=C3)Cl)(N+)(=O)(O)
InChI=1SC16H9ClN2O4c17133110(2413)12(818)51161516(2392215)714(11)19(20)21h17H9H2b125+
MFCD05988018
N#CC(=Cc1cc2OCOc2cc1(N+)(=O)(O))c1ccc(cc1)Cl
ZINC000000495950
ZINC00495950
ZINC495950
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