Vitas-M small molecule compound

(2E)-N-(2-chloro-5-nitrophenyl)-3-(4-methoxyphenyl)prop-2-enamide

Catalog ID
STK417572
SMILES COc1ccc(cc1)/C=C/C(=O)Nc1cc(ccc1Cl)[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 C16H13ClN2O4 MW 332.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13ClN2O4/c1-23-13-6-2-11(3-7-13)4-9-16(20)18-15-10-12(19(21)22)5-8-14(15)17/h2-10H,1H3,(H,18,20)/b9-4+
InChIKey
XHQFAMJFVZPRMT-RUDMXATFSA-N
Synonyms

(2E)N(2chloro5nitrophenyl)3(4methoxyphenyl)prop2enamide
(E)N(2CHLORO5NITROPHENYL)3(4METHOXYPHENYL)PROP2ENAMIDE
COC1=CC=C(C=C1)C=CC(=O)NC2=C(C=CC(=C2)(N+)(=O)(O))Cl
COc1ccc(cc1)C=CC(=O)Nc1cc(ccc1Cl)(N+)(=O)(O)
InChI=1SC16H13ClN2O4c123136211(3713)4916(20)18151012(19(21)22)5814(15)17h210H1H3(H1820)b94+
MFCD01345849
ZINC000002738436
ZINC02738436
ZINC2738436

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Available files

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