Vitas-M small molecule compound

(3aS,6R,7aR)-2-benzyl-1-oxo-3-(prop-2-en-1-yl)-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid

Catalog ID
STL547161
SMILES C=CCC1N(Cc2ccccc2)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 C19H19NO4 MW 325.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H19NO4/c1-2-6-14-19-10-9-13(24-19)15(18(22)23)16(19)17(21)20(14)11-12-7-4-3-5-8-12/h2-5,7-10,13-16H,1,6,11H2,(H,22,23)/t13-,14?,15?,16+,19-/m1/s1
InChIKey
RUHYDWNDMDUEBL-GDWAVCMYSA-N
Synonyms
1212482-54-6
(1~(S)5~(R)7~(R))3benzyl4oxo2prop2enyl10oxa3azatricyclo(5210^(15))dec8ene6carboxylicacid
(3aS6R7aR)2benzyl1oxo3(prop2en1yl)123677ahexahydro3a6epoxyisoindole7carboxylicacid
(3aS6R7aR)3allyl2benzyl1oxo123677ahexahydro3a6epoxyisoindole7carboxylicacid
1212482546
16397154
C=CCC1N(Cc2ccccc2)C(=O)(C@H)2(C@)31C=C(C@@H)(O3)C2C(=O)O
InChI=1SC19H19NO4c126141910913(2419)15(18(22)23)16(19)17(21)20(14)11127435812h257101316H1611H2(H2223)t1314?15?16+19m1s1
MFCD02924891
ZINC000004028728
ZINC000004028731

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Available files

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