Vitas-M small molecule compound

2-(6-bromo-3',3'-dimethyl-5',8-dinitrospiro[chromene-2,2'-indol]-1'(3'H)-yl)ethanol

Catalog ID
STL327066
SMILES OCCN1c2ccc(cc2C(C21C=Cc1c(O2)c(cc(c1)Br)[N+](=O)[O-])(C)C)[N+](=O)[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 C20H18BrN3O6 MW 476.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18BrN3O6/c1-19(2)15-11-14(23(26)27)3-4-16(15)22(7-8-25)20(19)6-5-12-9-13(21)10-17(24(28)29)18(12)30-20/h3-6,9-11,25H,7-8H2,1-2H3
InChIKey
OIAJEQMRFXNXOB-UHFFFAOYSA-N
Synonyms
82828-46-4
2(6bromo33dimethyl58dinitrospiro(chromene22indol)1(3H)yl)ethanol
2(6BROMO33DIMETHYL58DINITROSPIRO(CHROMENE22INDOLE)1YL)ETHANOL
2(6bromo33dimethyl58dinitrospiro(chromene22indolin)1yl)ethanol
82828464
CC1(C2=C(C=CC(=C2)(N+)(=O)(O))N(C13C=CC4=CC(=CC(=C4O3)(N+)(=O)(O))Br)CCO)C
InChI=1SC20H18BrN3O6c119(2)151114(23(26)27)3416(15)22(7825)20(19)6512913(21)1017(24(28)29)18(12)3020h3691125H78H212H3
MFCD00347111
OCCN1c2ccc(cc2C(C21C=Cc1c(O2)c(cc(c1)Br)(N+)(=O)(O))(C)C)(N+)(=O)(O)
ZINC000009185654
ZINC000009185655

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Available files

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