Vitas-M small molecule compound
4-chloro-3,5-dimethylphenyl 2-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)-3-phenylpropanoate
Catalog ID
STK381229
SMILES O=C(C(N1C(=O)C2C(C1=O)C1C=CC2C2C1C2)Cc1ccccc1)Oc1cc(C)c(c(c1)C)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 C28H26ClNO4 MW 475.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H26ClNO4/c1-14-10-17(11-15(2)25(14)29)34-28(33)22(12-16-6-4-3-5-7-16)30-26(31)23-18-8-9-19(21-13-20(18)21)24(23)27(30)32/h3-11,18-24H,12-13H2,1-2H3InChIKey
BGCCQMNSQFNALW-UHFFFAOYSA-NSynonyms
4chloro35dimethylphenyl2(13dioxooctahydro46ethenocyclopropa(f)isoindol2(1H)yl)3phenylpropanoate
CC1=CC(=CC(=C1Cl)C)OC(=O)C(CC2=CC=CC=C2)N3C(=O)C4C5C=CC(C4C3=O)C6C5C6
InChI=1SC28H26ClNO4c1141017(1115(2)25(14)29)3428(33)22(12166435716)3026(31)23188919(211320(18)21)24(23)27(30)32h3111824H1213H212H3
MFCD02314681
ZINC000239275144
ZINC000239275147
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