Vitas-M small molecule compound

trans-4-[({[(2,2-dimethyl-6-oxo-3,4,6,7,8,9-hexahydro-2H-cyclopenta[c]pyrano[2,3-h]chromen-10-yl)oxy]acetyl}amino)methyl]cyclohexanecarboxylic acid

Catalog ID
STL518324
SMILES O=C(COc1cc2OC(C)(C)CCc2c2c1c1CCCc1c(=O)o2)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 C27H33NO7 MW 483.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H33NO7/c1-27(2)11-10-19-20(35-27)12-21(23-17-4-3-5-18(17)26(32)34-24(19)23)33-14-22(29)28-13-15-6-8-16(9-7-15)25(30)31/h12,15-16H,3-11,13-14H2,1-2H3,(H,28,29)(H,30,31)/t15-,16-
InChIKey
HCTWABHXCAWKAY-WKILWMFISA-N
Synonyms

(1r4r)4((2((22dimethyl6oxo346789hexahydro2Hcyclopenta(c)pyrano(23h)chromen10yl)oxy)acetamido)methyl)cyclohexanecarboxylicacid
InChI=1SC27H33NO7c127(2)11101920(3527)1221(231743518(17)26(32)3424(19)23)331422(29)2813156816(9715)25(30)31h121516H3111314H212H3(H2829)(H3031)t1516
MFCD10487867
O=C(COc1cc2OC(C)(C)CCc2c2c1c1CCCc1c(=O)o2)NC(C@@H)1CC(C@H)(CC1)C(=O)O
trans4(((((22dimethyl6oxo346789hexahydro2Hcyclopenta(c)pyrano(23h)chromen10yl)oxy)acetyl)amino)methyl)cyclohexanecarboxylicacid
ZINC000252694014

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Available files

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