Vitas-M small molecule compound
methyl (3aS,6R,7aR)-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
STL566189
SMILES COC(=O)C1[C@@H]2C=C[C@@]3([C@@H]1C(=O)N(C3CC=C)c1ccc(cc1)Cl)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 C19H18ClNO4 MW 359.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18ClNO4/c1-3-4-14-19-10-9-13(25-19)15(18(23)24-2)16(19)17(22)21(14)12-7-5-11(20)6-8-12/h3,5-10,13-16H,1,4H2,2H3/t13-,14?,15?,16+,19-/m1/s1InChIKey
RQCWAQWAWPQZFH-GDWAVCMYSA-NSynonyms
1212466-74-4(3aS6R7aR)methyl3allyl2(4chlorophenyl)1oxo123677ahexahydro3a6epoxyisoindole7carboxylate
1212466744
16397141
COC(=O)C1(C@H)2C=C(C@@)3((C@@H)1C(=O)N(C3CC=C)c1ccc(cc1)Cl)O2
InChI=1SC19H18ClNO4c134141910913(2519)15(18(23)242)16(19)17(22)21(14)127511(20)6812h35101316H14H22H3t1314?15?16+19m1s1
methyl(1S5R7R)3(4chlorophenyl)4oxo2prop2enyl10oxa3azatricyclo(521015)dec8ene6carboxylate
methyl(3aS6R7aR)2(4chlorophenyl)1oxo3(prop2en1yl)123677ahexahydro3a6epoxyisoindole7carboxylate
MFCD02924833
ZINC000000911791
ZINC000002126624
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