Vitas-M small molecule compound
ethyl 2,4-dimethyl-5-[(2E)-3-(4-nitrophenyl)prop-2-enoyl]-1H-pyrrole-3-carboxylate
Catalog ID
STK374999
SMILES CCOC(=O)c1c(C)[nH]c(c1C)C(=O)/C=C/c1ccc(cc1)[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 C18H18N2O5 MW 342.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18N2O5/c1-4-25-18(22)16-11(2)17(19-12(16)3)15(21)10-7-13-5-8-14(9-6-13)20(23)24/h5-10,19H,4H2,1-3H3/b10-7+InChIKey
ICFAPRRALSWAEH-JXMROGBWSA-NSynonyms
24DIMETHYL5(3(4NITROPHENYL)ACRYLOYL)1HPYRROLE3CARBOXYLICACIDETHYL
CCOC(=O)C1=C(NC(=C1C)C(=O)C=CC2=CC=C(C=C2)(N+)(=O)(O))C
CCOC(=O)c1c(C)(nH)c(c1C)C(=O)C=Cc1ccc(cc1)(N+)(=O)(O)
ethyl24dimethyl5((2E)3(4nitrophenyl)prop2enoyl)1Hpyrrole3carboxylate
ETHYL24DIMETHYL5((E)3(4NITROPHENYL)PROP2ENOYL)1HPYRROLE3CARBOXYLATE
ETHYL5((2E)3(4NITROPHENYL)PROP2ENOYL)24DIMETHYLPYRROLE3CARBOXYLATE
ETHYL5(3(4NITROPHENYL)ACRYLOYL)24DIMETHYL1HPYRROLE3CARBOXYLATE
InChI=1SC18H18N2O5c142518(22)1611(2)17(1912(16)3)15(21)107135814(9613)20(23)24h51019H4H213H3b107+
MFCD01119075
ZINC000004131618
ZINC04131618
ZINC4131618
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