Vitas-M small molecule compound
3-benzyl-4,7-dimethyl-2-oxo-6-(pyrrolidinium-1-ylmethyl)-2H-chromen-5-olate
Catalog ID
STK564650
SMILES O=c1oc2cc(C)c(c(c2c(c1Cc1ccccc1)C)[O-])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 C23H25NO3 MW 363.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H25NO3/c1-15-12-20-21(22(25)19(15)14-24-10-6-7-11-24)16(2)18(23(26)27-20)13-17-8-4-3-5-9-17/h3-5,8-9,12,25H,6-7,10-11,13-14H2,1-2H3InChIKey
RHWOIDZJKDPOGS-UHFFFAOYSA-NSynonyms
706775-70-43BENZYL47DIMETHYL2OXO6(PYRROLIDIN1IUM1YLMETHYL)CHROMEN5OLATE
3benzyl47dimethyl2oxo6(pyrrolidinium1ylmethyl)2Hchromen5olate
3BENZYL5HYDROXY47DIMETHYL6(PYRROLIDIN1YLMETHYL)CHROMEN2ONE
706775704
CC1=CC2=C(C(=C(C(=O)O2)CC3=CC=CC=C3)C)C(=C1CN4CCCC4)O
InChI=1SC23H25NO3c115122021(22(25)19(15)142410671124)16(2)18(23(26)2720)13178435917h35891225H6710111314H212H3
MFCD04012391
O=c1oc2cc(C)c(c(c2c(c1Cc1ccccc1)C)(O))C(NH+)1CCCC1
ZINC000020267658
ZINC20267658
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