Vitas-M small molecule compound
1-oxo-1-phenylbutan-2-yl 3-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)benzoate
Catalog ID
STK258046
SMILES CCC(C(=O)c1ccccc1)OC(=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 C28H25NO5 MW 455.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25NO5/c1-2-22(25(30)15-7-4-3-5-8-15)34-28(33)16-9-6-10-17(13-16)29-26(31)23-18-11-12-19(21-14-20(18)21)24(23)27(29)32/h3-13,18-24H,2,14H2,1H3InChIKey
IRDFYHRHEDFVMV-UHFFFAOYSA-NSynonyms
1005100-83-31005100833
1OXO1PHENYLBUTAN2YL3(13DIOXOOCTAHYDRO46ETHENOCYCLOPROPA(F)ISOINDOL2(1H)YL)BENZOATE
CCC(C(=O)C1=CC=CC=C1)OC(=O)C2=CC(=CC=C2)N3C(=O)C4C5C=CC(C4C3=O)C6C5C6
InChI=1SC28H25NO5c1222(25(30)157435815)3428(33)16961017(1316)2926(31)2318111219(211420(18)21)24(23)27(29)32h3131824H214H21H3
MFCD02314556
ZINC000245227535
ZINC000245227538
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