Vitas-M small molecule compound
trans-4-[({[(3-benzyl-4,7-dimethyl-2-oxo-2H-chromen-5-yl)oxy]acetyl}amino)methyl]cyclohexanecarboxylic acid
Catalog ID
STL516982
SMILES O=C(COc1cc(C)cc2c1c(C)c(c(=O)o2)Cc1ccccc1)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 C28H31NO6 MW 477.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31NO6/c1-17-12-23(34-16-25(30)29-15-20-8-10-21(11-9-20)27(31)32)26-18(2)22(28(33)35-24(26)13-17)14-19-6-4-3-5-7-19/h3-7,12-13,20-21H,8-11,14-16H2,1-2H3,(H,29,30)(H,31,32)/t20-,21-InChIKey
YVHAYTCMQXTSLA-MEMLXQNLSA-NSynonyms
(1r4r)4((2((3benzyl47dimethyl2oxo2Hchromen5yl)oxy)acetamido)methyl)cyclohexanecarboxylicacid
InChI=1SC28H31NO6c1171223(341625(30)29152081021(11920)27(31)32)2618(2)22(28(33)3524(26)1317)14196435719h3712132021H8111416H212H3(H2930)(H3132)t2021
MFCD05676452
O=C(COc1cc(C)cc2c1c(C)c(c(=O)o2)Cc1ccccc1)NC(C@@H)1CC(C@H)(CC1)C(=O)O
trans4(((((3benzyl47dimethyl2oxo2Hchromen5yl)oxy)acetyl)amino)methyl)cyclohexanecarboxylicacid
ZINC000252695366
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