Vitas-M small molecule compound
[(3aR,4R,4aR,7aS,8R,8aR)-3-(3-nitrophenyl)-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]acetic acid
Catalog ID
STK588218
SMILES OC(=O)CN1C(=O)[C@H]2[C@@H](C1=O)[C@@H]1C[C@H]2[C@H]2[C@@H]1ON=C2c1cccc(c1)[N+](=O)[O-]
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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 C18H15N3O7 MW 385.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H15N3O7/c22-11(23)6-20-17(24)12-9-5-10(13(12)18(20)25)16-14(9)15(19-28-16)7-2-1-3-8(4-7)21(26)27/h1-4,9-10,12-14,16H,5-6H2,(H,22,23)/t9-,10+,12+,13-,14+,16+/m0/s1InChIKey
XSLCLZSJLGCMKI-NADOHHQUSA-NSynonyms
1212358-01-4((3aR4R4aR7aS8R8aR)3(3nitrophenyl)57dioxo3a44a577a88aoctahydro6H48methano(12)oxazolo(45f)isoindol6yl)aceticacid
2((3aR4R4aR7aS8R8aR)3(3nitrophenyl)57dioxo4a577a88ahexahydro3aH48methanoisoxazolo(45f)isoindol6(4H)yl)aceticacid
C1C2C3C(C1C4C2C(=NO4)C5=CC(=CC=C5)(N+)(=O)(O))C(=O)N(C3=O)CC(=O)O
OC(=O)CN1C(=O)(C@H)2(C@@H)(C1=O)(C@@H)1C(C@H)2(C@H)2(C@@H)1ON=C2c1cccc(c1)(N+)(=O)(O)
OC(=O)CN1C(=O)(C@H)2(C@@H)(C1=O)(C@H)1C(C@@H)2(C@H)2(C@@H)1ON=C2c1cccc(c1)(N+)(=O)(O)
Registry IDs
MFCD18245829ZINC000005244717
Check stock
See real-time availability and sample size for STK588218 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.