Vitas-M small molecule compound
3-({[(5-hydroxy-2,2-dimethyl-4-oxo-3,4-dihydro-2H-chromen-7-yl)oxy]acetyl}amino)-3-(4-methoxynaphthalen-1-yl)propanoic acid
Catalog ID
STL534318
SMILES COc1ccc(c2c1cccc2)C(CC(=O)O)NC(=O)COc1cc(O)c2c(c1)OC(CC2=O)(C)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 C27H27NO8 MW 493.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27NO8/c1-27(2)13-21(30)26-20(29)10-15(11-23(26)36-27)35-14-24(31)28-19(12-25(32)33)17-8-9-22(34-3)18-7-5-4-6-16(17)18/h4-11,19,29H,12-14H2,1-3H3,(H,28,31)(H,32,33)InChIKey
QQBTVHISLTXTGC-UHFFFAOYSA-NSynonyms
931213-68-216407252
3((((5hydroxy22dimethyl4oxo34dihydro2Hchromen7yl)oxy)acetyl)amino)3(4methoxynaphthalen1yl)propanoicacid
3((2((5hydroxy22dimethyl4oxo3~(H)chromen7yl)oxy)acetyl)amino)3(4methoxynaphthalen1yl)propanoicacid
3(2((5hydroxy22dimethyl4oxochroman7yl)oxy)acetamido)3(4methoxynaphthalen1yl)propanoicacid
931213682
InChI=1SC27H27NO8c127(2)1321(30)2620(29)1015(1123(26)3627)351424(31)2819(1225(32)33)178922(343)18754616(17)18h4111929H1214H213H3(H2831)(H3233)
MFCD08283949
ZINC000008878352
ZINC000008878355
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