Vitas-M small molecule compound
(3aS,6R)-2-[4-(ethoxycarbonyl)phenyl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid
Catalog ID
STL527639
SMILES CCOC(=O)c1ccc(cc1)N1C[C@@]23C(C1=O)C([C@@H](O3)C=C2)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 C18H17NO6 MW 343.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17NO6/c1-2-24-17(23)10-3-5-11(6-4-10)19-9-18-8-7-12(25-18)13(16(21)22)14(18)15(19)20/h3-8,12-14H,2,9H2,1H3,(H,21,22)/t12-,13?,14?,18-/m1/s1InChIKey
HFONFDOIGODJRZ-PNDQRGPWSA-NSynonyms
956973-41-4(1~(S)7~(R))3(4ethoxycarbonylphenyl)4oxo10oxa3azatricyclo(5210^(15))dec8ene6carboxylicacid
(3aS6R)2(4(ethoxycarbonyl)phenyl)1oxo123677ahexahydro3a6epoxyisoindole7carboxylicacid
16398057
956973414
CCOC(=O)c1ccc(cc1)N1C(C@@)23C(C1=O)C((C@H)(O3)C=C2)C(=O)O
InChI=1SC18H17NO6c122417(23)103511(6410)199188712(2518)13(16(21)22)14(18)15(19)20h381214H29H21H3(H2122)t1213?14?18m1s1
MFCD03660256
ZINC000004041728
ZINC000004041737
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