Vitas-M small molecule compound
ethyl 2-(4-chlorophenyl)-1-oxo-3-(prop-2-en-1-yl)-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate
Catalog ID
STL447824
SMILES C=CCC1N(c2ccc(cc2)Cl)C(=O)C2C31C=CC(O3)C2C(=O)OCC
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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 C20H20ClNO4 MW 373.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20ClNO4/c1-3-5-15-20-11-10-14(26-20)16(19(24)25-4-2)17(20)18(23)22(15)13-8-6-12(21)7-9-13/h3,6-11,14-17H,1,4-5H2,2H3InChIKey
ZXQWXPZHCBDOMJ-UHFFFAOYSA-NSynonyms
(3aS6R7aR)ethyl3allyl2(4chlorophenyl)1oxo123677ahexahydro3a6epoxyisoindole7carboxylate
C=CCC1N(c2ccc(cc2)Cl)C(=O)(C@H)2(C@)31C=C(C@@H)(O3)C2C(=O)OCC
CCOC(=O)C1C2C=CC3(C1C(=O)N(C3CC=C)C4=CC=C(C=C4)Cl)O2
ethyl2(4chlorophenyl)1oxo3(prop2en1yl)123677ahexahydro3a6epoxyisoindole7carboxylate
InChI=1SC20H20ClNO4c1351520111014(2620)16(19(24)2542)17(20)18(23)22(15)138612(21)7913h36111417H145H22H3
MFCD06239942
ZINC000002134090
ZINC000248341892
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