Vitas-M small molecule compound
4-chloro-3-methylphenyl 3-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)benzoate
Catalog ID
STK387196
SMILES O=C1N(c2cccc(c2)C(=O)Oc2ccc(c(c2)C)Cl)C(=O)C2C1C1C=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 C25H20ClNO4 MW 433.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20ClNO4/c1-12-9-15(5-8-20(12)26)31-25(30)13-3-2-4-14(10-13)27-23(28)21-16-6-7-17(19-11-18(16)19)22(21)24(27)29/h2-10,16-19,21-22H,11H2,1H3InChIKey
WXRYYMGOTHPHRG-UHFFFAOYSA-NSynonyms
4chloro3methylphenyl3(13dioxooctahydro46ethenocyclopropa(f)isoindol2(1H)yl)benzoate
CC1=C(C=CC(=C1)OC(=O)C2=CC(=CC=C2)N3C(=O)C4C5C=CC(C4C3=O)C6C5C6)Cl
InChI=1SC25H20ClNO4c112915(5820(12)26)3125(30)1332414(1013)2723(28)21166717(191118(16)19)22(21)24(27)29h21016192122H11H21H3
MFCD02314714
ZINC000239235881
ZINC000239235884
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