Vitas-M small molecule compound
4-chlorophenyl 4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)cyclohexanecarboxylate
Catalog ID
STK275524
SMILES O=C(C1CCC(CC1)N1C(=O)C2C(C1=O)C1CC2C=C1)Oc1ccc(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 C22H22ClNO4 MW 399.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22ClNO4/c23-15-5-9-17(10-6-15)28-22(27)12-3-7-16(8-4-12)24-20(25)18-13-1-2-14(11-13)19(18)21(24)26/h1-2,5-6,9-10,12-14,16,18-19H,3-4,7-8,11H2InChIKey
DRFFJAFFOMLLGK-UHFFFAOYSA-NSynonyms
4chlorophenyl4(13dioxo133a477ahexahydro2H47methanoisoindol2yl)cyclohexanecarboxylate
C1CC(CCC1C(=O)OC2=CC=C(C=C2)Cl)N3C(=O)C4C5CC(C4C3=O)C=C5
InChI=1SC22H22ClNO4c23155917(10615)2822(27)123716(8412)2420(25)18131214(1113)19(18)21(24)26h12569101214161819H347811H2
MFCD02916158
ZINC000102082880
ZINC000102082891
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