Vitas-M small molecule compound
4-ethyl-7-methyl-2-oxo-6-(pyrrolidinium-1-ylmethyl)-2H-chromen-5-olate
Catalog ID
STK566660
SMILES CCc1cc(=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 C17H21NO3 MW 287.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H21NO3/c1-3-12-9-15(19)21-14-8-11(2)13(17(20)16(12)14)10-18-6-4-5-7-18/h8-9,20H,3-7,10H2,1-2H3InChIKey
DDDYTXIDUOUJBD-UHFFFAOYSA-NSynonyms
577787-25-84ETHYL5HYDROXY7METHYL6(1PYRROLIDINYLMETHYL)1BENZOPYRAN2ONE
4ETHYL5HYDROXY7METHYL6(PYRROLIDIN1YLMETHYL)CHROMEN2ONE
4ETHYL5HYDROXY7METHYL6(PYRROLIDINOMETHYL)COUMARIN
4ETHYL7METHYL2OXO6(PYRROLIDIN1IUM1YLMETHYL)CHROMEN5OLATE
4ethyl7methyl2oxo6(pyrrolidinium1ylmethyl)2Hchromen5olate
4ETHYL7METHYL5OXIDANYL6(PYRROLIDIN1YLMETHYL)CHROMEN2ONE
577787258
CCC1=CC(=O)OC2=C1C(=C(C(=C2)C)C(NH+)3CCCC3)(O)
CCc1cc(=O)oc2c1c((O))c(c(c2)C)C(NH+)1CCCC1
InChI=1SC17H21NO3c1312915(19)2114811(2)13(17(20)16(12)14)1018645718h8920H3710H212H3
MFCD04026996
ZINC000005092142
ZINC5092142
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