Vitas-M small molecule compound
3,3-dimethyl-2-oxobutyl 3-(5,6-dibromo-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)benzoate
Catalog ID
STK275735
SMILES BrC1C(Br)C2CC1C1C2C(=O)N(C1=O)c1cccc(c1)C(=O)OCC(=O)C(C)(C)C
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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 C22H23Br2NO5 MW 541.24 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23Br2NO5/c1-22(2,3)14(26)9-30-21(29)10-5-4-6-11(7-10)25-19(27)15-12-8-13(16(15)20(25)28)18(24)17(12)23/h4-7,12-13,15-18H,8-9H2,1-3H3InChIKey
NJAZHEUDJDHTJS-UHFFFAOYSA-NSynonyms
33dimethyl2oxobutyl3(56dibromo13dioxooctahydro2H47methanoisoindol2yl)benzoate
CC(C)(C)C(=O)COC(=O)C1=CC(=CC=C1)N2C(=O)C3C4CC(C3C2=O)C(C4Br)Br
InChI=1SC22H23Br2NO5c122(23)14(26)93021(29)1054611(710)2519(27)1512813(16(15)20(25)28)18(24)17(12)23h4712131518H89H213H3
MFCD03274146
ZINC000101464881
ZINC000239165042
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