Vitas-M small molecule compound
2-[(3aR,4R,7S,7aS)-5,6-dibromo-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl]pentanedioic acid
Catalog ID
STK540503
SMILES BrC1[C@@H]2C[C@H](C1Br)[C@H]1[C@@H]2C(=O)N(C1=O)C(C(=O)O)CCC(=O)O
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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 C14H15Br2NO6 MW 453.08 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H15Br2NO6/c15-10-4-3-5(11(10)16)9-8(4)12(20)17(13(9)21)6(14(22)23)1-2-7(18)19/h4-6,8-11H,1-3H2,(H,18,19)(H,22,23)/t4-,5+,6?,8+,9-,10?,11?InChIKey
NRXFVCDLBRGEDJ-WLVMBKETSA-NSynonyms
2((3aR4R7S7aS)56dibromo13dioxohexahydro1H47methanoisoindol2(3H)yl)pentanedioicacid
2((3aR4R7S7aS)56dibromo13dioxooctahydro2H47methanoisoindol2yl)pentanedioicacid
BrC1(C@@H)2C(C@H)(C1Br)(C@@H)1(C@H)2C(=O)N(C1=O)C(C(=O)O)CCC(=O)O
BrC1(C@@H)2C(C@H)(C1Br)(C@H)1(C@@H)2C(=O)N(C1=O)C(C(=O)O)CCC(=O)O
C1C2C3C(C1C(C2Br)Br)C(=O)N(C3=O)C(CCC(=O)O)C(=O)O
InChI=1SC14H15Br2NO6c1510435(11(10)16)98(4)12(20)17(13(9)21)6(14(22)23)127(18)19h46811H13H2(H1819)(H2223)t45+6?89+10?11?
MFCD02982510
ZINC000001744267
ZINC000105303401
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