Vitas-M small molecule compound
methyl (4Z)-1-(butan-2-yl)-2-methyl-4-(4-nitrobenzylidene)-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Catalog ID
STK160477
SMILES CCC(N1C(=O)/C(=C\c2ccc(cc2)[N+](=O)[O-])/C(=C1C)C(=O)OC)C
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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 C18H20N2O5 MW 344.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H20N2O5/c1-5-11(2)19-12(3)16(18(22)25-4)15(17(19)21)10-13-6-8-14(9-7-13)20(23)24/h6-11H,5H2,1-4H3/b15-10-InChIKey
DOJZXJCNYBCWAA-GDNBJRDFSA-NSynonyms
CCC(C)N1C(=C(C(=CC2=CC=C(C=C2)(N+)(=O)(O))C1=O)C(=O)OC)C
CCC(N1C(=O)C(=Cc2ccc(cc2)(N+)(=O)(O))C(=C1C)C(=O)OC)C
InChI=1SC18H20N2O5c1511(2)1912(3)16(18(22)254)15(17(19)21)10136814(9713)20(23)24h611H5H214H3b1510
METHYL(4Z)1(BUTAN2YL)2METHYL4(4NITROBENZYLIDENE)5OXO45DIHYDRO1HPYRROLE3CARBOXYLATE
METHYL(4Z)1BUTAN2YL2METHYL4((4NITROPHENYL)METHYLIDENE)5OXOPYRROLE3CARBOXYLATE
MFCD08671248
ZINC000004696483
ZINC000004696484
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