Vitas-M small molecule compound
2-[1-(1,3-benzodioxol-5-yl)ethyl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid
Catalog ID
STK801387
SMILES OC(=O)C1C2C=CC3(C1C(=O)N(C3)C(c1ccc3c(c1)OCO3)C)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 C18H17NO6 MW 343.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17NO6/c1-9(10-2-3-11-13(6-10)24-8-23-11)19-7-18-5-4-12(25-18)14(17(21)22)15(18)16(19)20/h2-6,9,12,14-15H,7-8H2,1H3,(H,21,22)InChIKey
LCPQTKFZJSZOCI-UHFFFAOYSA-NSynonyms
1005060-87-61005060876
2(1(13benzodioxol5yl)ethyl)1oxo123677ahexahydro3a6epoxyisoindole7carboxylicacid
2(1(benzo(d)(13)dioxol5yl)ethyl)1oxo123677ahexahydro3a6epoxyisoindole7carboxylicacid
CC(C1=CC2=C(C=C1)OCO2)N3CC45C=CC(O4)C(C5C3=O)C(=O)O
InChI=1SC18H17NO6c19(10231113(610)2482311)197185412(2518)14(17(21)22)15(18)16(19)20h269121415H78H21H3(H2122)
MFCD07637872
ZINC000003881904
ZINC000226942885
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