Vitas-M small molecule compound
4-chloro-3-methylphenyl (1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)acetate
Catalog ID
STK359360
SMILES O=C(CN1C(=O)C2C(C1=O)C1C=CC2C2C1C2)Oc1ccc(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 C20H18ClNO4 MW 371.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18ClNO4/c1-9-6-10(2-5-15(9)21)26-16(23)8-22-19(24)17-11-3-4-12(14-7-13(11)14)18(17)20(22)25/h2-6,11-14,17-18H,7-8H2,1H3InChIKey
GAQNXHHQPKBXGR-UHFFFAOYSA-NSynonyms
4chloro3methylphenyl(13dioxooctahydro46ethenocyclopropa(f)isoindol2(1H)yl)acetate
CC1=C(C=CC(=C1)OC(=O)CN2C(=O)C3C4C=CC(C3C2=O)C5C4C5)Cl
InChI=1SC20H18ClNO4c19610(2515(9)21)2616(23)82219(24)17113412(14713(11)14)18(17)20(22)25h2611141718H78H21H3
MFCD02314668
ZINC000239046972
ZINC000239046975
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