Vitas-M small molecule compound
3-(3-methoxyphenoxy)-2-methyl-4-oxo-8-(piperidinium-1-ylmethyl)-4H-chromen-7-olate
Catalog ID
STK569770
SMILES COc1cccc(c1)Oc1c(C)oc2c(c1=O)ccc(c2C[NH+]1CCCCC1)[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 C23H25NO5 MW 395.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H25NO5/c1-15-22(29-17-8-6-7-16(13-17)27-2)21(26)18-9-10-20(25)19(23(18)28-15)14-24-11-4-3-5-12-24/h6-10,13,25H,3-5,11-12,14H2,1-2H3InChIKey
HWNYPCUJIBONFL-UHFFFAOYSA-NSynonyms
637751-91-83(3methoxyphenoxy)2methyl4oxo8(piperidinium1ylmethyl)4Hchromen7olate
CC1=C(C(=O)C2=C(O1)C(=C(C=C2)(O))C(NH+)3CCCCC3)OC4=CC(=CC=C4)OC
COc1cccc(c1)Oc1c(C)oc2c(c1=O)ccc(c2C(NH+)1CCCCC1)(O)
InChI=1SC23H25NO5c11522(291786716(1317)272)21(26)1891020(25)19(23(18)2815)1424114351224h6101325H35111214H212H3
MFCD04178347
ZINC000020393963
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