Vitas-M small molecule compound
2-{3-[2-(3,4-dimethylphenyl)-2-oxoethoxy]phenyl}hexahydro-4,6-ethenocyclopropa[f]isoindole-1,3(2H,3aH)-dione
Catalog ID
STK274849
SMILES O=C1N(c2cccc(c2)OCC(=O)c2ccc(c(c2)C)C)C(=O)C2C1C1C=CC2C2C1C2
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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 C27H25NO4 MW 427.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25NO4/c1-14-6-7-16(10-15(14)2)23(29)13-32-18-5-3-4-17(11-18)28-26(30)24-19-8-9-20(22-12-21(19)22)25(24)27(28)31/h3-11,19-22,24-25H,12-13H2,1-2H3InChIKey
DXVQGHHNDKNVKP-UHFFFAOYSA-NSynonyms
2(3(2(34dimethylphenyl)2oxoethoxy)phenyl)hexahydro46ethenocyclopropa(f)isoindole13(2H3aH)dione
CC1=C(C=C(C=C1)C(=O)COC2=CC=CC(=C2)N3C(=O)C4C5C=CC(C4C3=O)C6C5C6)C
InChI=1SC27H25NO4c1146716(1015(14)2)23(29)13321853417(1118)2826(30)24198920(221221(19)22)25(24)27(28)31h31119222425H1213H212H3
MFCD03070715
ZINC000239038783
ZINC000239038786
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