Vitas-M small molecule compound

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

Catalog ID
STK438046
SMILES O=C(Nc1ccc(cc1[N+](=O)[O-])C)/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/c1-11-2-5-13(14(8-11)19(21)22)18-17(20)7-4-12-3-6-15-16(9-12)24-10-23-15/h2-9H,10H2,1H3,(H,18,20)/b7-4+
InChIKey
MYAJCXSJFAGHNX-QPJJXVBHSA-N
Synonyms
546098-23-1
(2E)3(13benzodioxol5yl)N(4methyl2nitrophenyl)prop2enamide
(2E)3(2HBENZO(34D)13DIOXOLAN5YL)N(4METHYL2NITROPHENYL)PROP2ENAMIDE
(E)3(13BENZODIOXOL5YL)N(4METHYL2NITROPHENYL)PROP2ENAMIDE
3(13BENZODIOXOL5YL)N(2NITRO4METHYLPHENYL)ACRYLAMIDE
546098231
CC1=CC(=C(C=C1)NC(=O)C=CC2=CC3=C(C=C2)OCO3)(N+)(=O)(O)
InChI=1SC17H14N2O5c1112513(14(811)19(21)22)1817(20)7412361516(912)24102315h29H10H21H3(H1820)b74+
MFCD03395366
O=C(Nc1ccc(cc1(N+)(=O)(O))C)C=Cc1ccc2c(c1)OCO2
ZINC000004646644
ZINC04646644
ZINC4646644

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Available files

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