Vitas-M small molecule compound

trans-4-[({[(5-hydroxy-2,2-dimethyl-4-oxo-3,4-dihydro-2H-chromen-7-yl)oxy]acetyl}amino)methyl]cyclohexanecarboxylic acid

Catalog ID
STL518911
SMILES O=C(COc1cc(O)c2c(c1)OC(CC2=O)(C)C)NC[C@@H]1CC[C@H](CC1)C(=O)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 C21H27NO7 MW 405.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27NO7/c1-21(2)9-16(24)19-15(23)7-14(8-17(19)29-21)28-11-18(25)22-10-12-3-5-13(6-4-12)20(26)27/h7-8,12-13,23H,3-6,9-11H2,1-2H3,(H,22,25)(H,26,27)/t12-,13-
InChIKey
TTZOCWWUKXKDJB-JOCQHMNTSA-N
Synonyms

(1r4r)4((2((5hydroxy22dimethyl4oxochroman7yl)oxy)acetamido)methyl)cyclohexanecarboxylicacid
InChI=1SC21H27NO7c121(2)916(24)1915(23)714(817(19)2921)281118(25)2210123513(6412)20(26)27h78121323H36911H212H3(H2225)(H2627)t1213
MFCD08742925
O=C(COc1cc(O)c2c(c1)OC(CC2=O)(C)C)NC(C@@H)1CC(C@H)(CC1)C(=O)O
trans4(((((5hydroxy22dimethyl4oxo34dihydro2Hchromen7yl)oxy)acetyl)amino)methyl)cyclohexanecarboxylicacid
ZINC000252695013

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Available files

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