Vitas-M small molecule compound
propan-2-yl (3aS,6R,7aR)-2-(4-methoxyphenyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate
Catalog ID
STL528208
SMILES COc1ccc(cc1)N1C[C@@]23[C@H](C1=O)C([C@@H](O3)C=C2)C(=O)OC(C)C
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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 C19H21NO5 MW 343.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H21NO5/c1-11(2)24-18(22)15-14-8-9-19(25-14)10-20(17(21)16(15)19)12-4-6-13(23-3)7-5-12/h4-9,11,14-16H,10H2,1-3H3/t14-,15?,16+,19-/m1/s1InChIKey
BSTNPDGBHFHFRZ-QBKPQXPVSA-NSynonyms
956961-54-9(3aS6R7aR)isopropyl2(4methoxyphenyl)1oxo123677ahexahydro3a6epoxyisoindole7carboxylate
16398464
956961549
COc1ccc(cc1)N1C(C@@)23(C@H)(C1=O)C((C@H)(O3)C=C2)C(=O)OC(C)C
InChI=1SC19H21NO5c111(2)2418(22)15148919(2514)1020(17(21)16(15)19)124613(233)7512h49111416H10H213H3t1415?16+19m1s1
MFCD03849879
propan2yl(1~(S)5~(R)7~(R))3(4methoxyphenyl)4oxo10oxa3azatricyclo(5210^(15))dec8ene6carboxylate
propan2yl(3aS6R7aR)2(4methoxyphenyl)1oxo123677ahexahydro3a6epoxyisoindole7carboxylate
ZINC000000207877
ZINC000000488919
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