Vitas-M small molecule compound
2-{2-[2-(3,4-dimethylphenyl)-2-oxoethoxy]phenyl}hexahydro-4,6-ethenocyclopropa[f]isoindole-1,3(2H,3aH)-dione
Catalog ID
STK274850
SMILES O=C1C2C3C=CC(C2C(=O)N1c1ccccc1OCC(=O)c1ccc(c(c1)C)C)C1C3C1
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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/c1-14-7-8-16(11-15(14)2)22(29)13-32-23-6-4-3-5-21(23)28-26(30)24-17-9-10-18(20-12-19(17)20)25(24)27(28)31/h3-11,17-20,24-25H,12-13H2,1-2H3InChIKey
JMNKGSOXWPMTKI-UHFFFAOYSA-NSynonyms
2(2(2(34dimethylphenyl)2oxoethoxy)phenyl)hexahydro46ethenocyclopropa(f)isoindole13(2H3aH)dione
CC1=C(C=C(C=C1)C(=O)COC2=CC=CC=C2N3C(=O)C4C5C=CC(C4C3=O)C6C5C6)C
InChI=1SC27H25NO4c1147816(1115(14)2)22(29)133223643521(23)2826(30)241791018(201219(17)20)25(24)27(28)31h31117202425H1213H212H3
MFCD03145764
ZINC000239121196
ZINC000239121199
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