Vitas-M small molecule compound
2-{4-[5-methyl-2-(propan-2-yl)phenoxy]phenyl}hexahydro-4,6-ethenocyclopropa[f]isoindole-1,3(2H,3aH)-dione
Catalog ID
STK269979
SMILES Cc1ccc(c(c1)Oc1ccc(cc1)N1C(=O)C2C(C1=O)C1C=CC2C2C1C2)C(C)C
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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 C27H27NO3 MW 413.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27NO3/c1-14(2)18-9-4-15(3)12-23(18)31-17-7-5-16(6-8-17)28-26(29)24-19-10-11-20(22-13-21(19)22)25(24)27(28)30/h4-12,14,19-22,24-25H,13H2,1-3H3InChIKey
VOVSFTFOXZXHLQ-UHFFFAOYSA-NSynonyms
2(4(2isopropyl5methylphenoxy)phenyl)44a55a66ahexahydro46ethenocyclopropa(f)isoindole13(2H3aH)dione
2(4(5methyl2(propan2yl)phenoxy)phenyl)hexahydro46ethenocyclopropa(f)isoindole13(2H3aH)dione
CC1=CC(=C(C=C1)C(C)C)OC2=CC=C(C=C2)N3C(=O)C4C5C=CC(C4C3=O)C6C5C6
InChI=1SC27H27NO3c114(2)189415(3)1223(18)31177516(6817)2826(29)2419101120(221321(19)22)25(24)27(28)30h4121419222425H13H213H3
MFCD02189050
ZINC000239425996
ZINC000239425999
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