Vitas-M small molecule compound
3,4-dimethylphenyl 4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)benzoate
Catalog ID
STK252546
SMILES O=C1N(c2ccc(cc2)C(=O)Oc2ccc(c(c2)C)C)C(=O)C2C1C1C=CC2C1
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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 C24H21NO4 MW 387.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H21NO4/c1-13-3-10-19(11-14(13)2)29-24(28)15-6-8-18(9-7-15)25-22(26)20-16-4-5-17(12-16)21(20)23(25)27/h3-11,16-17,20-21H,12H2,1-2H3InChIKey
GZGMWAVBOPDFJB-UHFFFAOYSA-NSynonyms
34DIMETHYLPHENYL4(13DIOXO133A477AHEXAHYDRO2H47METHANOISOINDOL2YL)BENZOATE
CC1=C(C=C(C=C1)OC(=O)C2=CC=C(C=C2)N3C(=O)C4C5CC(C4C3=O)C=C5)C
InChI=1SC24H21NO4c11331019(1114(13)2)2924(28)156818(9715)2522(26)20164517(1216)21(20)23(25)27h31116172021H12H212H3
MFCD01062951
ZINC000100547719
ZINC000239308803
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