Vitas-M small molecule compound
3-(3-methoxyphenyl)-8-(morpholin-4-ium-4-ylmethyl)-2-oxo-2H-chromen-7-olate
Catalog ID
STK631763
SMILES COc1cccc(c1)c1cc2ccc(c(c2oc1=O)C[NH+]1CCOCC1)[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 C21H21NO5 MW 367.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21NO5/c1-25-16-4-2-3-14(11-16)17-12-15-5-6-19(23)18(20(15)27-21(17)24)13-22-7-9-26-10-8-22/h2-6,11-12,23H,7-10,13H2,1H3InChIKey
XUPPTJIDULLHJY-UHFFFAOYSA-NSynonyms
951966-00-03(3methoxyphenyl)8(morpholin4ium4ylmethyl)2oxo2Hchromen7olate
7hydroxy3(3methoxyphenyl)8(morpholin4ylmethyl)chromen2one
951966000
COC1=CC=CC(=C1)C2=CC3=C(C(=C(C=C3)O)CN4CCOCC4)OC2=O
COc1cccc(c1)c1cc2ccc(c(c2oc1=O)C(NH+)1CCOCC1)(O)
InChI=1SC21H21NO5c1251642314(1116)1712155619(23)18(20(15)2721(17)24)1322792610822h26111223H71013H21H3
MFCD09855935
ZINC000013724141
ZINC13724141
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