Vitas-M small molecule compound
3-benzyl-8-{[(4-butoxyphenyl)amino]methyl}-7-hydroxy-4-methyl-2H-chromen-2-one
Catalog ID
STK601964
SMILES CCCCOc1ccc(cc1)NCc1c(O)ccc2c1oc(=O)c(c2C)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 C28H29NO4 MW 443.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29NO4/c1-3-4-16-32-22-12-10-21(11-13-22)29-18-25-26(30)15-14-23-19(2)24(28(31)33-27(23)25)17-20-8-6-5-7-9-20/h5-15,29-30H,3-4,16-18H2,1-2H3InChIKey
POCSELGLXFTABY-UHFFFAOYSA-NSynonyms
3benzyl8(((4butoxyphenyl)amino)methyl)7hydroxy4methyl2Hchromen2one
3benzyl8(((4butoxyphenyl)amino)methyl)7hydroxy4methyl2Hchromen2onehydrochloride
3benzyl8((4butoxyanilino)methyl)7hydroxy4methylchromen2one
CCCCOC1=CC=C(C=C1)NCC2=C(C=CC3=C2OC(=O)C(=C3C)CC4=CC=CC=C4)O
CCCCOc1ccc(cc1)NCc1c(O)ccc2c1oc(=O)c(c2C)Cc1ccccc1Cl
InChI=1SC28H29NO4c134163222121021(111322)29182526(30)15142319(2)24(28(31)3327(23)25)17208657920h5152930H341618H212H3
MFCD08287550
ZINC000008915102
ZINC08915102
ZINC8915102
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