Vitas-M small molecule compound
4-{[4-benzyl-2-(3,4-dimethoxyphenyl)-4H-chromen-3-yl]methyl}morpholin-4-ium
Catalog ID
STL439779
SMILES COc1ccc(cc1OC)C1=C(C[NH+]2CCOCC2)C(c2c(O1)cccc2)Cc1ccccc1
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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 C29H32NO4 MW 458.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31NO4/c1-31-27-13-12-22(19-28(27)32-2)29-25(20-30-14-16-33-17-15-30)24(18-21-8-4-3-5-9-21)23-10-6-7-11-26(23)34-29/h3-13,19,24H,14-18,20H2,1-2H3/p+1InChIKey
QZSLAQNZDXEESH-UHFFFAOYSA-OSynonyms
4((4benzyl2(34dimethoxyphenyl)4Hchromen3yl)methyl)morpholin4ium
COC1=C(C=C(C=C1)C2=C(C(C3=CC=CC=C3O2)CC4=CC=CC=C4)C(NH+)5CCOCC5)OC
COc1ccc(cc1OC)C1=C(C(NH+)2CCOCC2)C(c2c(O1)cccc2)Cc1ccccc1
InChI=1SC29H31NO4c13127131222(1928(27)322)2925(2030141633171530)24(18218435921)2310671126(23)3429h3131924H141820H212H3p+1
ZINC000025178261
ZINC000025178271
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