Vitas-M small molecule compound
2-[4-hydroxy-2-methyl-5-(propan-2-yl)phenyl]-5-nitro-1H-isoindole-1,3(2H)-dione
Catalog ID
STK377059
SMILES O=C1N(C(=O)c2c1cc(cc2)[N+](=O)[O-])c1cc(C(C)C)c(cc1C)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 C18H16N2O5 MW 340.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16N2O5/c1-9(2)13-8-15(10(3)6-16(13)21)19-17(22)12-5-4-11(20(24)25)7-14(12)18(19)23/h4-9,21H,1-3H3InChIKey
MSUHGCNAFXLLAL-UHFFFAOYSA-NSynonyms
2(4HYDROXY2METHYL5(1METHYLETHYL)PHENYL)5NITRO1HISOINDOLE13(2H)DIONE
2(4HYDROXY2METHYL5(METHYLETHYL)PHENYL)5NITROBENZO(C)AZOLIDINE13DIONE
2(4hydroxy2methyl5(propan2yl)phenyl)5nitro1Hisoindole13(2H)dione
2(4HYDROXY2METHYL5PROPAN2YLPHENYL)5NITROISOINDOLE13DIONE
CC1=C(C=C(C(=C1)O)C(C)C)N2C(=O)C3=C(C2=O)C=C(C=C3)(N+)(=O)(O)
InChI=1SC18H16N2O5c19(2)13815(10(3)616(13)21)1917(22)125411(20(24)25)714(12)18(19)23h4921H13H3
MFCD00603922
O=C1N(C(=O)c2c1cc(cc2)(N+)(=O)(O))c1cc(C(C)C)c(cc1C)O
ZINC000003204644
ZINC03204644
ZINC3204644
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