Vitas-M small molecule compound
4-butyl-7-methyl-2-oxo-6-(pyrrolidinium-1-ylmethyl)-2H-chromen-5-olate
Catalog ID
STL047098
SMILES CCCCc1cc(=O)oc2c1c([O-])c(c(c2)C)C[NH+]1CCCC1
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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 C19H25NO3 MW 315.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H25NO3/c1-3-4-7-14-11-17(21)23-16-10-13(2)15(19(22)18(14)16)12-20-8-5-6-9-20/h10-11,22H,3-9,12H2,1-2H3InChIKey
JVUSJLAVYNYOBV-UHFFFAOYSA-NSynonyms
577789-75-44BUTYL5HYDROXY7METHYL6(1PYRROLIDINYLMETHYL)1BENZOPYRAN2ONE
4BUTYL5HYDROXY7METHYL6(1PYRROLIDINYLMETHYL)2HCHROMEN2ONE
4BUTYL5HYDROXY7METHYL6(PYRROLIDIN1YLMETHYL)CHROMEN2ONE
4BUTYL5HYDROXY7METHYL6(PYRROLIDINOMETHYL)COUMARIN
4BUTYL7METHYL2OXO6(PYRROLIDIN1IUM1YLMETHYL)CHROMEN5OLATE
4butyl7methyl2oxo6(pyrrolidinium1ylmethyl)2Hchromen5olate
4BUTYL7METHYL5OXIDANYL6(PYRROLIDIN1YLMETHYL)CHROMEN2ONE
577789754
CCCCC1=CC(=O)OC2=C1C(=C(C(=C2)C)CN3CCCC3)O
CCCCc1cc(=O)oc2c1c((O))c(c(c2)C)C(NH+)1CCCC1
InChI=1SC19H25NO3c1347141117(21)23161013(2)15(19(22)18(14)16)1220856920h101122H3912H212H3
MFCD04027251
ZINC000020327968
ZINC20327968
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