Vitas-M small molecule compound

(2E)-3-(1,3-benzodioxol-5-yl)-N-(2-methyl-4-nitrophenyl)prop-2-enamide

Catalog ID
STK096059
SMILES O=C(Nc1ccc(cc1C)[N+](=O)[O-])/C=C/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 C17H14N2O5 MW 326.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H14N2O5/c1-11-8-13(19(21)22)4-5-14(11)18-17(20)7-3-12-2-6-15-16(9-12)24-10-23-15/h2-9H,10H2,1H3,(H,18,20)/b7-3+
InChIKey
YNZOESQXYLNJCL-XVNBXDOJSA-N
Synonyms
349423-30-9
(2E)3(13BENZODIOXOL5YL)N(2METHYL4NITROPHENYL)PROP2ENAMIDE
(2E)3(2HBENZO(D)13DIOXOLAN5YL)N(2METHYL4NITROPHENYL)PROP2ENAMIDE
(E)3(13BENZODIOXOL5YL)N(2METHYL4NITROPHENYL)PROP2ENAMIDE
349423309
CC1=C(C=CC(=C1)(N+)(=O)(O))NC(=O)C=CC2=CC3=C(C=C2)OCO3
InChI=1SC17H14N2O5c111813(19(21)22)4514(11)1817(20)7312261516(912)24102315h29H10H21H3(H1820)b73+
MFCD02039015
O=C(Nc1ccc(cc1C)(N+)(=O)(O))C=Cc1ccc2c(c1)OCO2
STK096059
ZINC000004676432
ZINC04676432
ZINC4676432

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Available files

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