Vitas-M small molecule compound
methyl (4Z)-2-methyl-1-(2-methylpropyl)-4-(3-nitrobenzylidene)-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Catalog ID
STL296449
SMILES COC(=O)C1=C(C)N(C(=O)/C/1=C\c1cccc(c1)[N+](=O)[O-])CC(C)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/c1-11(2)10-19-12(3)16(18(22)25-4)15(17(19)21)9-13-6-5-7-14(8-13)20(23)24/h5-9,11H,10H2,1-4H3/b15-9-InChIKey
SMXWVAPRVGSXKM-DHDCSXOGSA-NSynonyms
(Z)methyl1isobutyl2methyl4(3nitrobenzylidene)5oxo45dihydro1Hpyrrole3carboxylate
CC1=C(C(=CC2=CC(=CC=C2)(N+)(=O)(O))C(=O)N1CC(C)C)C(=O)OC
COC(=O)C1=C(C)N(C(=O)C1=Cc1cccc(c1)(N+)(=O)(O))CC(C)C
InChI=1SC18H20N2O5c111(2)101912(3)16(18(22)254)15(17(19)21)91365714(813)20(23)24h5911H10H214H3b159
METHYL(4Z)2METHYL1(2METHYLPROPYL)4((3NITROPHENYL)METHYLIDENE)5OXOPYRROLE3CARBOXYLATE
methyl(4Z)2methyl1(2methylpropyl)4(3nitrobenzylidene)5oxo45dihydro1Hpyrrole3carboxylate
MFCD01541023
ZINC000000277493
ZINC00277493
ZINC277493
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