Vitas-M small molecule compound
8-(azepanium-1-ylmethyl)-3-(3,4-dimethoxyphenyl)-2-oxo-2H-chromen-7-olate
Catalog ID
STK618009
SMILES COc1cc(ccc1OC)c1cc2ccc(c(c2oc1=O)C[NH+]1CCCCCC1)[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 C24H27NO5 MW 409.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H27NO5/c1-28-21-10-8-16(14-22(21)29-2)18-13-17-7-9-20(26)19(23(17)30-24(18)27)15-25-11-5-3-4-6-12-25/h7-10,13-14,26H,3-6,11-12,15H2,1-2H3InChIKey
HCEQQRLTANCZFN-UHFFFAOYSA-NSynonyms
869340-81-88(AZAPERHYDROEPINYLMETHYL)3(34DIMETHOXYPHENYL)7HYDROXYCHROMEN2ONE
8(AZEPAN1YLMETHYL)3(34DIMETHOXYPHENYL)7HYDROXYCHROMEN2ONE
8(azepanium1ylmethyl)3(34dimethoxyphenyl)2oxo2Hchromen7olate
COC1=C(C=C(C=C1)C2=CC3=C(C(=C(C=C3)O)CN4CCCCCC4)OC2=O)OC
COc1cc(ccc1OC)c1cc2ccc(c(c2oc1=O)C(NH+)1CCCCCC1)(O)
InChI=1SC24H27NO5c1282110816(1422(21)292)1813177920(26)19(23(17)3024(18)27)15251153461225h710131426H36111215H212H3
MFCD06405990
ZINC000004353907
ZINC4353907
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