Vitas-M small molecule compound

4-[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]phenyl acetate

Catalog ID
STK782967
SMILES CC(=O)Oc1ccc(cc1)N1C(=O)C2C(C1=O)C1CC2C2C1C(=NO2)c1cccc(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 C24H19N3O7 MW 461.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H19N3O7/c1-11(28)33-15-7-5-13(6-8-15)26-23(29)18-16-10-17(19(18)24(26)30)22-20(16)21(25-34-22)12-3-2-4-14(9-12)27(31)32/h2-9,16-20,22H,10H2,1H3
InChIKey
GXKGBBWXPSOKQB-UHFFFAOYSA-N
Synonyms

4((3aS4S4aR7aS8S8aS)3(3nitrophenyl)57dioxo4a577a88ahexahydro3aH48methanoisoxazolo(45f)isoindol6(4H)yl)phenylacetate
4(3(3NITROPHENYL)57DIOXO3A44A577A88AOCTAHYDRO6H48METHANO(12)OXAZOLO(45F)ISOINDOL6YL)PHENYLACETATE
CC(=O)OC1=CC=C(C=C1)N2C(=O)C3C4CC(C3C2=O)C5C4C(=NO5)C6=CC(=CC=C6)(N+)(=O)(O)
CC(=O)Oc1ccc(cc1)N1C(=O)(C@@H)2(C@H)(C1=O)(C@H)1C(C@@H)2(C@H)2(C@@H)1C(=NO2)c1cccc(c1)(N+)(=O)(O)
CC(=O)Oc1ccc(cc1)N1C(=O)C2C(C1=O)C1CC2C2C1C(=NO2)c1cccc(c1)(N+)(=O)(O)
InChI=1SC24H19N3O7c111(28)33157513(6815)2623(29)18161017(19(18)24(26)30)2220(16)21(253422)1232414(912)27(31)32h29162022H10H21H3
MFCD06617273
ZINC000252430718
ZINC000252430721

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Available files

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