Vitas-M small molecule compound
2-(4-methoxyphenyl)-2-oxoethyl 3-(5,6-dibromo-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)propanoate
Catalog ID
STK268797
SMILES COc1ccc(cc1)C(=O)COC(=O)CCN1C(=O)C2C(C1=O)C1CC2C(C1Br)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 C21H21Br2NO6 MW 543.21 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21Br2NO6/c1-29-11-4-2-10(3-5-11)14(25)9-30-15(26)6-7-24-20(27)16-12-8-13(17(16)21(24)28)19(23)18(12)22/h2-5,12-13,16-19H,6-9H2,1H3InChIKey
DFSICQVPFWZDFN-UHFFFAOYSA-NSynonyms
2(4methoxyphenyl)2oxoethyl3((3aR4R7S7aS)56dibromo13dioxohexahydro1H47methanoisoindol2(3H)yl)propanoate
2(4methoxyphenyl)2oxoethyl3(56dibromo13dioxooctahydro2H47methanoisoindol2yl)propanoate
COC1=CC=C(C=C1)C(=O)COC(=O)CCN2C(=O)C3C4CC(C3C2=O)C(C4Br)Br
COc1ccc(cc1)C(=O)COC(=O)CCN1C(=O)(C@@H)2(C@H)(C1=O)(C@@H)1C(C@H)2C(C1Br)Br
InChI=1SC21H21Br2NO6c129114210(3511)14(25)93015(26)672420(27)1612813(17(16)21(24)28)19(23)18(12)22h2512131619H69H21H3
MFCD01362215
ZINC000169689987
ZINC000239038459
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