Vitas-M small molecule compound

dimethyl [1-(4-hydroxy-3-methoxyphenyl)-2-nitroethyl]propanedioate

Catalog ID
STK728504
SMILES COC(=O)C(C(c1ccc(c(c1)OC)O)C[N+](=O)[O-])C(=O)OC

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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 C14H17NO8 MW 327.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H17NO8/c1-21-11-6-8(4-5-10(11)16)9(7-15(19)20)12(13(17)22-2)14(18)23-3/h4-6,9,12,16H,7H2,1-3H3
InChIKey
FFTFGIIVDMEPEC-UHFFFAOYSA-N
Synonyms

2(1(4HYDROXY3METHOXYPHENYL)2NITROETHYL)MALONICACIDDIMETHYLESTER
COC(=O)C(C(c1ccc(c(c1)OC)O)C(N+)(=O)(O))C(=O)OC
COC1=C(C=CC(=C1)C(C(N+)(=O)(O))C(C(=O)OC)C(=O)OC)O
dimethyl(1(4hydroxy3methoxyphenyl)2nitroethyl)propanedioate
dimethyl2(1(4hydroxy3methoxyphenyl)2nitroethyl)malonate
DIMETHYL2(1(4HYDROXY3METHOXYPHENYL)2NITROETHYL)PROPANEDIOATE
InChI=1SC14H17NO8c1211168(4510(11)16)9(715(19)20)12(13(17)222)14(18)233h4691216H7H213H3
MFCD01017370
ZINC000002304113
ZINC000002304114

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Available files

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