Vitas-M small molecule compound
3-butyl-8-[(E)-(hydroxyimino)(4-methylphenyl)methyl]-4,9-dimethyl-2H-furo[2,3-h]chromen-2-one
Catalog ID
STK536255
SMILES CCCCc1c(=O)oc2c(c1C)ccc1c2c(C)c(o1)/C(=N/O)/c1ccc(cc1)C
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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 C25H25NO4 MW 403.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25NO4/c1-5-6-7-19-15(3)18-12-13-20-21(24(18)30-25(19)27)16(4)23(29-20)22(26-28)17-10-8-14(2)9-11-17/h8-13,28H,5-7H2,1-4H3/b26-22+InChIKey
CHBUMUBQBICVPB-XTCLZLMSSA-NSynonyms
(E)3butyl8((hydroxyimino)(ptolyl)methyl)49dimethyl2Hfuro(23h)chromen2one
3butyl8((E)(hydroxyimino)(4methylphenyl)methyl)49dimethyl2Hfuro(23h)chromen2one
3BUTYL8((E)NHYDROXYC(4METHYLPHENYL)CARBONIMIDOYL)49DIMETHYLFURO(23H)CHROMEN2ONE
CCCCC1=C(C2=C(C3=C(C=C2)OC(=C3C)C(=NO)C4=CC=C(C=C4)C)OC1=O)C
CCCCc1c(=O)oc2c(c1C)ccc1c2c(C)c(o1)C(=NO)c1ccc(cc1)C
InChI=1SC25H25NO4c15671915(3)1812132021(24(18)3025(19)27)16(4)23(2920)22(2628)1710814(2)91117h81328H57H214H3b2622+
MFCD02991535
ZINC000004858023
ZINC102418302
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