Vitas-M small molecule compound
8-{[benzyl(methyl)ammonio]methyl}-3-(4-methoxyphenyl)-2-methyl-4-oxo-4H-chromen-7-olate
Catalog ID
STK571580
SMILES COc1ccc(cc1)c1c(C)oc2c(c1=O)ccc(c2C[NH+](Cc1ccccc1)C)[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 C26H25NO4 MW 415.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25NO4/c1-17-24(19-9-11-20(30-3)12-10-19)25(29)21-13-14-23(28)22(26(21)31-17)16-27(2)15-18-7-5-4-6-8-18/h4-14,28H,15-16H2,1-3H3InChIKey
UKCFNDDTBVRUEQ-UHFFFAOYSA-NSynonyms
848867-80-18((benzyl(methyl)ammonio)methyl)3(4methoxyphenyl)2methyl4oxo4Hchromen7olate
CC1=C(C(=O)C2=C(O1)C(=C(C=C2)O)CN(C)CC3=CC=CC=C3)C4=CC=C(C=C4)OC
COc1ccc(cc1)c1c(C)oc2c(c1=O)ccc(c2C(NH+)(Cc1ccccc1)C)(O)
InChI=1SC26H25NO4c11724(1991120(303)121019)25(29)21131423(28)22(26(21)3117)1627(2)15187546818h41428H1516H213H3
MFCD04197235
ZINC000020461237
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