Vitas-M small molecule compound
4-bromophenyl 2-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)propanoate
Catalog ID
STK286546
SMILES CC(N1C(=O)C2C(C1=O)C1C=CC2C2C1C2)C(=O)Oc1ccc(cc1)Br
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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 C20H18BrNO4 MW 416.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18BrNO4/c1-9(20(25)26-11-4-2-10(21)3-5-11)22-18(23)16-12-6-7-13(15-8-14(12)15)17(16)19(22)24/h2-7,9,12-17H,8H2,1H3InChIKey
JNDOJHQDBIVNRE-UHFFFAOYSA-NSynonyms
4BROMOPHENYL(2S)2((3AR4R4AS5AR6S6AS)13DIOXOOCTAHYDRO46ETHENOCYCLOPROPA(F)ISOINDOL2(1H)YL)PROPANOATE
4bromophenyl2(13dioxooctahydro46ethenocyclopropa(f)isoindol2(1H)yl)propanoate
CC(C(=O)OC1=CC=C(C=C1)Br)N2C(=O)C3C4C=CC(C3C2=O)C5C4C5
InChI=1SC20H18BrNO4c19(20(25)26114210(21)3511)2218(23)16126713(15814(12)15)17(16)19(22)24h2791217H8H21H3
MFCD03578100
ZINC000239121213
ZINC000239121216
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