Vitas-M small molecule compound
4-[3-(4-chlorophenyl)-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
STK782960
SMILES CC(=O)Oc1ccc(cc1)N1C(=O)C2C(C1=O)C1CC2C2C1C(=NO2)c1ccc(cc1)Cl
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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 C24H19ClN2O5 MW 450.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H19ClN2O5/c1-11(28)31-15-8-6-14(7-9-15)27-23(29)18-16-10-17(19(18)24(27)30)22-20(16)21(26-32-22)12-2-4-13(25)5-3-12/h2-9,16-20,22H,10H2,1H3InChIKey
GYWCBKGWZDIYAC-UHFFFAOYSA-NSynonyms
4((3aS4S4aR7aS8S8aS)3(4chlorophenyl)57dioxo4a577a88ahexahydro3aH48methanoisoxazolo(45f)isoindol6(4H)yl)phenylacetate
4(3(4CHLOROPHENYL)57DIOXO3A44A577A88AOCTAHYDRO6H48METHANO(12)OXAZOLO(45F)ISOINDOL6YL)PHENYLACETATE
CC(=O)OC1=CC=C(C=C1)N2C(=O)C3C4CC(C3C2=O)C5C4C(=NO5)C6=CC=C(C=C6)Cl
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)c1ccc(cc1)Cl
InChI=1SC24H19ClN2O5c111(28)31158614(7915)2723(29)18161017(19(18)24(27)30)2220(16)21(263222)122413(25)5312h29162022H10H21H3
MFCD06617266
ZINC000252430722
ZINC000252430725
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