Vitas-M small molecule compound
2-(4-methoxyphenyl)-2-oxoethyl 3-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)benzoate
Catalog ID
STK270007
SMILES COc1ccc(cc1)C(=O)COC(=O)c1cccc(c1)N1C(=O)C2C(C1=O)C1C=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 C27H23NO6 MW 457.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23NO6/c1-33-17-7-5-14(6-8-17)22(29)13-34-27(32)15-3-2-4-16(11-15)28-25(30)23-18-9-10-19(21-12-20(18)21)24(23)26(28)31/h2-11,18-21,23-24H,12-13H2,1H3InChIKey
WNUPRTGQRHBXBU-UHFFFAOYSA-NSynonyms
2(4methoxyphenyl)2oxoethyl3(13dioxo33a44a55a66aoctahydro46ethenocyclopropa(f)isoindol2(1H)yl)benzoate
2(4methoxyphenyl)2oxoethyl3(13dioxooctahydro46ethenocyclopropa(f)isoindol2(1H)yl)benzoate
COC1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=CC=C2)N3C(=O)C4C5C=CC(C4C3=O)C6C5C6
InChI=1SC27H23NO6c133177514(6817)22(29)133427(32)1532416(1115)2825(30)231891019(211220(18)21)24(23)26(28)31h21118212324H1213H21H3
MFCD02189088
ZINC000239235708
ZINC000239235711
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