Vitas-M small molecule compound

3-(3-methoxyphenoxy)-2-methyl-4-oxo-8-(pyrrolidinium-1-ylmethyl)-4H-chromen-7-olate

Catalog ID
STK570907
SMILES COc1cccc(c1)Oc1c(C)oc2c(c1=O)ccc(c2C[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 C22H23NO5 MW 381.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23NO5/c1-14-21(28-16-7-5-6-15(12-16)26-2)20(25)17-8-9-19(24)18(22(17)27-14)13-23-10-3-4-11-23/h5-9,12,24H,3-4,10-11,13H2,1-2H3
InChIKey
RHGHWEFICNJBNK-UHFFFAOYSA-N
Synonyms
848747-80-8
3(3methoxyphenoxy)2methyl4oxo8(pyrrolidinium1ylmethyl)4Hchromen7olate
CC1=C(C(=O)C2=C(O1)C(=C(C=C2)O)CN3CCCC3)OC4=CC(=CC=C4)OC
COc1cccc(c1)Oc1c(C)oc2c(c1=O)ccc(c2C(NH+)1CCCC1)(O)
InChI=1SC22H23NO5c11421(281675615(1216)262)20(25)178919(24)18(22(17)2714)132310341123h591224H34101113H212H3
MFCD04196043
ZINC000020444434

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Available files

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