Vitas-M small molecule compound
2-(4-chlorophenyl)-2-oxoethyl 2-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)hexanoate
Catalog ID
STK270009
SMILES CCCCC(N1C(=O)C2C(C1=O)C1C=CC2C2C1C2)C(=O)OCC(=O)c1ccc(cc1)Cl
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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 C25H26ClNO5 MW 455.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26ClNO5/c1-2-3-4-19(25(31)32-12-20(28)13-5-7-14(26)8-6-13)27-23(29)21-15-9-10-16(18-11-17(15)18)22(21)24(27)30/h5-10,15-19,21-22H,2-4,11-12H2,1H3InChIKey
LUVMLAFXFMGZBS-UHFFFAOYSA-NSynonyms
2(4chlorophenyl)2oxoethyl2(13dioxo33a44a55a66aoctahydro46ethenocyclopropa(f)isoindol2(1H)yl)hexanoate
2(4chlorophenyl)2oxoethyl2(13dioxooctahydro46ethenocyclopropa(f)isoindol2(1H)yl)hexanoate
CCCCC(C(=O)OCC(=O)C1=CC=C(C=C1)Cl)N2C(=O)C3C4C=CC(C3C2=O)C5C4C5
InChI=1SC25H26ClNO5c123419(25(31)321220(28)135714(26)8613)2723(29)211591016(181117(15)18)22(21)24(27)30h51015192122H241112H21H3
MFCD02189090
ZINC000239339191
ZINC000239339194
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