Vitas-M small molecule compound
3-butyl-7-hydroxy-4,8-dimethyl-6-nitro-2H-chromen-2-one
Catalog ID
STK676456
SMILES CCCCc1c(=O)oc2c(c1C)cc(c(c2C)O)[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 C15H17NO5 MW 291.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H17NO5/c1-4-5-6-10-8(2)11-7-12(16(19)20)13(17)9(3)14(11)21-15(10)18/h7,17H,4-6H2,1-3H3InChIKey
PSNFWPCXKUBHGV-UHFFFAOYSA-NSynonyms
3BUTYL7HYDROXY48DIMETHYL6NITRO2HCHROMEN2ONE
3BUTYL7HYDROXY48DIMETHYL6NITROCHROMEN2ONE
CCCCC1=C(C2=CC(=C(C(=C2OC1=O)C)O)(N+)(=O)(O))C
CCCCc1c(=O)oc2c(c1C)cc(c(c2C)O)(N+)(=O)(O)
InChI=1SC15H17NO5c1456108(2)11712(16(19)20)13(17)9(3)14(11)2115(10)18h717H46H213H3
MFCD02069387
ZINC000015218569
ZINC15218569
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