Vitas-M small molecule compound
(2Z)-N-(4-bromophenyl)-2-cyano-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide
Catalog ID
STK183549
SMILES N#C/C(=C/c1cc2OCOc2cc1[N+](=O)[O-])/C(=O)Nc1ccc(cc1)Br
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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 C17H10BrN3O5 MW 416.19 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H10BrN3O5/c18-12-1-3-13(4-2-12)20-17(22)11(8-19)5-10-6-15-16(26-9-25-15)7-14(10)21(23)24/h1-7H,9H2,(H,20,22)/b11-5-InChIKey
SZRJCBLMQBFAKF-WZUFQYTHSA-NSynonyms
(2Z)N(4BROMOPHENYL)2CYANO3(6NITRO13BENZODIOXOL5YL)PROP2ENAMIDE
(Z)N(4bromophenyl)2cyano3(6nitro13benzodioxol5yl)prop2enamide
C1OC2=C(O1)C=C(C(=C2)C=C(C#N)C(=O)NC3=CC=C(C=C3)Br)(N+)(=O)(O)
InChI=1SC17H10BrN3O5c18121313(4212)2017(22)11(819)51061516(2692515)714(10)21(23)24h17H9H2(H2022)b115
MFCD05040923
N#CC(=Cc1cc2OCOc2cc1(N+)(=O)(O))C(=O)Nc1ccc(cc1)Br
ZINC000009906202
ZINC09906202
ZINC9906202
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