Vitas-M small molecule compound
ethyl 4-{(3aR,4R,4aR,7aS,8R,8aR)-3-[4-(benzyloxy)phenyl]-5,7-dioxo-3a,4,4a,5,7,7a,8,8a-octahydro-6H-4,8-methano[1,2]oxazolo[4,5-f]isoindol-6-yl}benzoate
Catalog ID
STK573807
SMILES CCOC(=O)c1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)[C@@H]1C[C@H]2[C@H]2[C@@H]1ON=C2c1ccc(cc1)OCc1ccccc1
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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 C32H28N2O6 MW 536.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H28N2O6/c1-2-38-32(37)20-8-12-21(13-9-20)34-30(35)25-23-16-24(26(25)31(34)36)29-27(23)28(33-40-29)19-10-14-22(15-11-19)39-17-18-6-4-3-5-7-18/h3-15,23-27,29H,2,16-17H2,1H3/t23-,24+,25+,26-,27+,29+/m0/s1InChIKey
FVWVXVIOHFEYCV-WSWWJLHISA-NSynonyms
1014021-52-31014021523
CCOC(=O)c1ccc(cc1)N1C(=O)(C@H)2(C@@H)(C1=O)(C@@H)1C(C@H)2(C@H)2(C@@H)1ON=C2c1ccc(cc1)OCc1ccccc1
CCOC(=O)c1ccc(cc1)N1C(=O)(C@H)2(C@@H)(C1=O)(C@H)1C(C@@H)2(C@H)2(C@@H)1ON=C2c1ccc(cc1)OCc1ccccc1
ethyl4((3aR4R4aR7aS8R8aR)3(4(benzyloxy)phenyl)57dioxo3a44a577a88aoctahydro6H48methano(12)oxazolo(45f)isoindol6yl)benzoate
ethyl4((3aR4R4aR7aS8R8aR)3(4(benzyloxy)phenyl)57dioxo4a577a88ahexahydro3aH48methanoisoxazolo(45f)isoindol6(4H)yl)benzoate
MFCD18245492
ZINC000101268797
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