Vitas-M small molecule compound
propan-2-yl 4-({[3-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)phenyl]carbonyl}amino)benzoate
Catalog ID
STK275551
SMILES CC(OC(=O)c1ccc(cc1)NC(=O)c1cccc(c1)N1C(=O)C2C(C1=O)C1C=CC2C2C1C2)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 C28H26N2O5 MW 470.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H26N2O5/c1-14(2)35-28(34)15-6-8-17(9-7-15)29-25(31)16-4-3-5-18(12-16)30-26(32)23-19-10-11-20(22-13-21(19)22)24(23)27(30)33/h3-12,14,19-24H,13H2,1-2H3,(H,29,31)InChIKey
WMLQANMTBYRRIU-UHFFFAOYSA-NSynonyms
1METHYLETHYL4(((3(13DIOXOOCTAHYDRO46ETHENOCYCLOPROPA(F)ISOINDOL2(1H)YL)PHENYL)CARBONYL)AMINO)BENZOATE
CC(C)OC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)N3C(=O)C4C5C=CC(C4C3=O)C6C5C6
InChI=1SC28H26N2O5c114(2)3528(34)156817(9715)2925(31)1643518(1216)3026(32)2319101120(221321(19)22)24(23)27(30)33h312141924H13H212H3(H2931)
MFCD03037705
propan2yl4(((3(13dioxooctahydro46ethenocyclopropa(f)isoindol2(1H)yl)phenyl)carbonyl)amino)benzoate
ZINC000239235677
ZINC000239235680
ZINC13941379
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