Vitas-M small molecule compound
3-(4-bromophenyl)-2-(ethoxycarbonyl)-8-[(3-methylpiperidinium-1-yl)methyl]-4-oxo-4H-chromen-7-olate
Catalog ID
STK561078
SMILES CCOC(=O)c1oc2c(C[NH+]3CCCC(C3)C)c([O-])ccc2c(=O)c1c1ccc(cc1)Br
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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 C25H26BrNO5 MW 500.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26BrNO5/c1-3-31-25(30)24-21(16-6-8-17(26)9-7-16)22(29)18-10-11-20(28)19(23(18)32-24)14-27-12-4-5-15(2)13-27/h6-11,15,28H,3-5,12-14H2,1-2H3InChIKey
IFYIQLFBSGDAPQ-UHFFFAOYSA-NSynonyms
610759-55-23(4bromophenyl)2(ethoxycarbonyl)8((3methylpiperidinium1yl)methyl)4oxo4Hchromen7olate
CCOC(=O)C1=C(C(=O)C2=C(O1)C(=C(C=C2)O)CN3CCCC(C3)C)C4=CC=C(C=C4)Br
CCOC(=O)c1oc2c(C(NH+)3CCCC(C3)C)c((O))ccc2c(=O)c1c1ccc(cc1)Br
InChI=1SC25H26BrNO5c133125(30)2421(166817(26)9716)22(29)18101120(28)19(23(18)3224)1427124515(2)1327h6111528H351214H212H3
MFCD03671479
ZINC000004646201
ZINC000009075522
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