Vitas-M small molecule compound
4-butoxyphenyl 3-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)benzoate
Catalog ID
STK387197
SMILES CCCCOc1ccc(cc1)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 C28H27NO5 MW 457.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27NO5/c1-2-3-13-33-18-7-9-19(10-8-18)34-28(32)16-5-4-6-17(14-16)29-26(30)24-20-11-12-21(23-15-22(20)23)25(24)27(29)31/h4-12,14,20-25H,2-3,13,15H2,1H3InChIKey
HQGROLAHAQXVHU-UHFFFAOYSA-NSynonyms
4butoxyphenyl3(13dioxooctahydro46ethenocyclopropa(f)isoindol2(1H)yl)benzoate
CCCCOC1=CC=C(C=C1)OC(=O)C2=CC(=CC=C2)N3C(=O)C4C5C=CC(C4C3=O)C6C5C6
InChI=1SC28H27NO5c1231333187919(10818)3428(32)1654617(1416)2926(30)2420111221(231522(20)23)25(24)27(29)31h412142025H231315H21H3
MFCD02314715
ZINC000239309520
ZINC000239309523
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