Vitas-M small molecule compound

1-oxo-2-(2-phenylethyl)-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid

Catalog ID
STK384080
SMILES OC(=O)C1C2C=CC3(C1C(=O)N(C3)CCc1ccccc1)O2

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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 C17H17NO4 MW 299.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17NO4/c19-15-14-13(16(20)21)12-6-8-17(14,22-12)10-18(15)9-7-11-4-2-1-3-5-11/h1-6,8,12-14H,7,9-10H2,(H,20,21)
InChIKey
MPBLVPMGVIUHFH-UHFFFAOYSA-N
Synonyms
77960-22-6
(3aS6R)1oxo2phenethyl123677ahexahydro3a6epoxyisoindole7carboxylicacid
1oxo2(2phenylethyl)123677ahexahydro3a6epoxyisoindole7carboxylicacid
4OXO3(2PHENYLETHYL)10OXA3AZATRICYCLO(
4OXO3PHENETHYL10OXA3AZATRICYCLO(
77960226
C1C23C=CC(O2)C(C3C(=O)N1CCC4=CC=CC=C4)C(=O)O
InChI=1SC17H17NO4c19151413(16(20)21)126817(142212)1018(15)97114213511h1681214H7910H2(H2021)
MFCD03660012
OC(=O)C1(C@H)2C=C(C@@)3(C1C(=O)N(C3)CCc1ccccc1)O2
ZINC000100001828
ZINC000141839890

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Available files

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