Vitas-M small molecule compound
6-[3-acetyl-4-hydroxy-2-(3-nitrophenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]hexanoic acid
Catalog ID
STK999853
SMILES OC(=O)CCCCCN1C(c2cccc(c2)[N+](=O)[O-])C(=C(C1=O)O)C(=O)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 C18H20N2O7 MW 376.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H20N2O7/c1-11(21)15-16(12-6-5-7-13(10-12)20(26)27)19(18(25)17(15)24)9-4-2-3-8-14(22)23/h5-7,10,16,24H,2-4,8-9H2,1H3,(H,22,23)InChIKey
KEHOEDMTRWXRQD-UHFFFAOYSA-NSynonyms
488731-34-6488731346
6(3acetyl4hydroxy2(3nitrophenyl)5oxo25dihydro1Hpyrrol1yl)hexanoicacid
6(3ACETYL4HYDROXY2(3NITROPHENYL)5OXO2HPYRROL1YL)HEXANOICACID
CC(=O)C1=C(C(=O)N(C1C2=CC(=CC=C2)(N+)(=O)(O))CCCCCC(=O)O)O
InChI=1SC18H20N2O7c111(21)1516(1265713(1012)20(26)27)19(18(25)17(15)24)9423814(22)23h57101624H2489H21H3(H2223)
MFCD02158015
OC(=O)CCCCCN1C(c2cccc(c2)(N+)(=O)(O))C(=C(C1=O)O)C(=O)C
ZINC000018059239
ZINC000018182744
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