Vitas-M small molecule compound
2-chloro-5-[4-(hydroxymethyl)-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-epoxyisoindol-2-yl]benzoic acid
Catalog ID
STL508384
SMILES OCC12C=CC(O1)C1C2C(=O)N(C1=O)c1ccc(c(c1)C(=O)O)Cl
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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 C16H12ClNO6 MW 349.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H12ClNO6/c17-9-2-1-7(5-8(9)15(22)23)18-13(20)11-10-3-4-16(6-19,24-10)12(11)14(18)21/h1-5,10-12,19H,6H2,(H,22,23)InChIKey
GAJGJZDRSISUGB-UHFFFAOYSA-NSynonyms
2857907
2chloro5(4(hydroxymethyl)13dioxo133a477ahexahydro2H47epoxyisoindol2yl)benzoicacid
2chloro5(7(hydroxymethyl)13dioxo47~(a)dihydro3~(a)~(H)47epoxyisoindol2yl)benzoicacid
InChI=1SC16H12ClNO6c179217(58(9)15(22)23)1813(20)11103416(6192410)12(11)14(18)21h15101219H6H2(H2223)
MFCD00750688
ZINC000101115723
ZINC000244633280
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