Vitas-M small molecule compound

2-(2-methylpropyl)-8-nitro-1,2,3,4-tetrahydro-4aH-chromeno[3,2-c]pyridin-4a-ol

Catalog ID
STK530726
SMILES CC(CN1CCC2(C(=Cc3c(O2)ccc(c3)[N+](=O)[O-])C1)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 C16H20N2O4 MW 304.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H20N2O4/c1-11(2)9-17-6-5-16(19)13(10-17)7-12-8-14(18(20)21)3-4-15(12)22-16/h3-4,7-8,11,19H,5-6,9-10H2,1-2H3
InChIKey
PAFPXGOUKLXZBO-UHFFFAOYSA-N
Synonyms

2(2methylpropyl)8nitro1234tetrahydro4aHchromeno(32c)pyridin4aol
2(2METHYLPROPYL)8NITRO34DIHYDRO1HCHROMENO(32C)PYRIDIN4AOL
2isobutyl8nitro2344atetrahydro1Hchromeno(32c)pyridin4aol
CC(C)CN1CCC2(C(=CC3=C(O2)C=CC(=C3)(N+)(=O)(O))C1)O
CC(CN1CCC2(C(=Cc3c(O2)ccc(c3)(N+)(=O)(O))C1)O)C
InChI=1SC16H20N2O4c111(2)9176516(19)13(1017)712814(18(20)21)3415(12)2216h34781119H56910H212H3
MFCD02239135
ZINC000004863272
ZINC000004863273

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.