Vitas-M small molecule compound

2-(4-methoxyphenyl)-1-oxo-3-(prop-2-en-1-yl)-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid

Catalog ID
STK893570
SMILES COc1ccc(cc1)N1C(=O)C2C3(C1CC=C)C=CC(C2C(=O)O)O3

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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 C19H19NO5 MW 341.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H19NO5/c1-3-4-14-19-10-9-13(25-19)15(18(22)23)16(19)17(21)20(14)11-5-7-12(24-2)8-6-11/h3,5-10,13-16H,1,4H2,2H3,(H,22,23)
InChIKey
WSHQZPHRZYRCMK-UHFFFAOYSA-N
Synonyms

(3aS6R7aR)3allyl2(4methoxyphenyl)1oxo123677ahexahydro3a6epoxyisoindole7carboxylicacid
2(4methoxyphenyl)1oxo3(prop2en1yl)123677ahexahydro3a6epoxyisoindole7carboxylicacid
COC1=CC=C(C=C1)N2C(C34C=CC(O3)C(C4C2=O)C(=O)O)CC=C
COc1ccc(cc1)N1C(=O)(C@H)2(C@)3(C1CC=C)C=C(C@H)(C2C(=O)O)O3
InChI=1SC19H19NO5c134141910913(2519)15(18(22)23)16(19)17(21)20(14)115712(242)8611h35101316H14H22H3(H2223)
MFCD07369072
ZINC000004028757
ZINC000245380344

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Available files

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