Vitas-M small molecule compound
ethyl 5-hydroxy-1,2-dimethyl-4,6-dinitro-1H-indole-3-carboxylate
Catalog ID
STK701340
SMILES CCOC(=O)c1c(C)n(c2c1c([N+](=O)[O-])c(O)c(c2)[N+](=O)[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 C13H13N3O7 MW 323.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H13N3O7/c1-4-23-13(18)9-6(2)14(3)7-5-8(15(19)20)12(17)11(10(7)9)16(21)22/h5,17H,4H2,1-3H3InChIKey
PBNUPOARCGPMPA-UHFFFAOYSA-NSynonyms
52535-59-852535598
5HYDROXY12DIMETHYL46DINITRO1HINDOLE3CARBOXYLICACIDETHYLESTER
CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)(N+)(=O)(O))O)(N+)(=O)(O))C)C
CCOC(=O)c1c(C)n(c2c1c((N+)(=O)(O))c(O)c(c2)(N+)(=O)(O))C
ethyl5hydroxy12dimethyl46dinitro1Hindole3carboxylate
ETHYL5HYDROXY12DIMETHYL46DINITROINDOLE3CARBOXYLATE
InChI=1SC13H13N3O7c142313(18)96(2)14(3)758(15(19)20)12(17)11(10(7)9)16(21)22h517H4H213H3
MFCD00395363
ZINC000004733323
ZINC4733323
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