Vitas-M small molecule compound
(3aS,6R,7aR)-1-oxo-2-(1-phenylethyl)-3-(prop-2-en-1-yl)-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid
Catalog ID
STL546533
SMILES C=CCC1N(C(=O)[C@H]2[C@]31C=C[C@H](O3)C2C(=O)O)C(c1ccccc1)C
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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 C20H21NO4 MW 339.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21NO4/c1-3-7-15-20-11-10-14(25-20)16(19(23)24)17(20)18(22)21(15)12(2)13-8-5-4-6-9-13/h3-6,8-12,14-17H,1,7H2,2H3,(H,23,24)/t12?,14-,15?,16?,17+,20-/m1/s1InChIKey
YWYCUWTWYARELT-HKBMZKCYSA-NSynonyms
1212426-53-3(1~(S)5~(R)7~(R))4oxo3(1phenylethyl)2prop2enyl10oxa3azatricyclo(5210^(15))dec8ene6carboxylicacid
(3aS6R7aR)1oxo2(1phenylethyl)3(prop2en1yl)123677ahexahydro3a6epoxyisoindole7carboxylicacid
(3aS6R7aR)3allyl1oxo2(1phenylethyl)123677ahexahydro3a6epoxyisoindole7carboxylicacid
1212426533
16397184
C=CCC1N(C(=O)(C@H)2(C@)31C=C(C@@H)(O3)C2C(=O)O)C(c1ccccc1)C
InChI=1SC20H21NO4c1371520111014(2520)16(19(23)24)17(20)18(22)21(15)12(2)138546913h368121417H17H22H3(H2324)t12?1415?16?17+20m1s1
MFCD02925068
ZINC000004028781
ZINC000012660101
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