Vitas-M small molecule compound
(3aS,6R,7aR)-3-(2-methylprop-2-en-1-yl)-1-oxo-2-(2-phenylethyl)-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid
Catalog ID
STL546341
SMILES CC(=C)CC1N(CCc2ccccc2)C(=O)[C@H]2[C@]31C=C[C@H](O3)C2C(=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 C21H23NO4 MW 353.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23NO4/c1-13(2)12-16-21-10-8-15(26-21)17(20(24)25)18(21)19(23)22(16)11-9-14-6-4-3-5-7-14/h3-8,10,15-18H,1,9,11-12H2,2H3,(H,24,25)/t15-,16?,17?,18+,21-/m1/s1InChIKey
PQWSQJPHBKAWTP-NZFYCRKHSA-NSynonyms
956964-99-1(1~(S)5~(R)7~(R))2(2methylprop2enyl)4oxo3(2phenylethyl)10oxa3azatricyclo(5210^(15))dec8ene6carboxylicacid
(3aS6R7aR)3(2methylallyl)1oxo2phenethyl123677ahexahydro3a6epoxyisoindole7carboxylicacid
(3aS6R7aR)3(2methylprop2en1yl)1oxo2(2phenylethyl)123677ahexahydro3a6epoxyisoindole7carboxylicacid
16398414
956964991
CC(=C)CC1N(CCc2ccccc2)C(=O)(C@H)2(C@)31C=C(C@@H)(O3)C2C(=O)O
InChI=1SC21H23NO4c113(2)12162110815(2621)17(20(24)25)18(21)19(23)22(16)119146435714h38101518H191112H22H3(H2425)t1516?17?18+21m1s1
MFCD03662072
ZINC000004044176
ZINC000004044180
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