Vitas-M small molecule compound
3-(3-methoxyphenyl)-2-oxo-8-(pyrrolidinium-1-ylmethyl)-2H-chromen-7-olate
Catalog ID
STK640136
SMILES COc1cccc(c1)c1cc2ccc(c(c2oc1=O)C[NH+]1CCCC1)[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 C21H21NO4 MW 351.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21NO4/c1-25-16-6-4-5-14(11-16)17-12-15-7-8-19(23)18(20(15)26-21(17)24)13-22-9-2-3-10-22/h4-8,11-12,23H,2-3,9-10,13H2,1H3InChIKey
KPPQXEPXCPOZAE-UHFFFAOYSA-NSynonyms
951943-43-43(3methoxyphenyl)2oxo8(pyrrolidinium1ylmethyl)2Hchromen7olate
7hydroxy3(3methoxyphenyl)8(pyrrolidin1ylmethyl)chromen2one
7HYDROXY3(3METHOXYPHENYL)8(PYRROLIDINYLMETHYL)CHROMEN2ONE
COC1=CC=CC(=C1)C2=CC3=C(C(=C(C=C3)O)CN4CCCC4)OC2=O
COc1cccc(c1)c1cc2ccc(c(c2oc1=O)C(NH+)1CCCC1)(O)
InChI=1SC21H21NO4c1251664514(1116)1712157819(23)18(20(15)2621(17)24)13229231022h48111223H2391013H21H3
MFCD09855426
ZINC000013722436
ZINC13722436
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