Vitas-M small molecule compound
4-chloro-3,5-dimethylphenyl (1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)acetate
Catalog ID
STK359361
SMILES O=C(Oc1cc(C)c(c(c1)C)Cl)CN1C(=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 C21H20ClNO4 MW 385.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20ClNO4/c1-9-5-11(6-10(2)19(9)22)27-16(24)8-23-20(25)17-12-3-4-13(15-7-14(12)15)18(17)21(23)26/h3-6,12-15,17-18H,7-8H2,1-2H3InChIKey
LTDXGLOQYGSKQK-UHFFFAOYSA-NSynonyms
4chloro35dimethylphenyl(13dioxooctahydro46ethenocyclopropa(f)isoindol2(1H)yl)acetate
CC1=CC(=CC(=C1Cl)C)OC(=O)CN2C(=O)C3C4C=CC(C3C2=O)C5C4C5
InChI=1SC21H20ClNO4c19511(610(2)19(9)22)2716(24)82320(25)17123413(15714(12)15)18(17)21(23)26h3612151718H78H212H3
MFCD02314669
ZINC000239339146
ZINC000239339149
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