Vitas-M small molecule compound
ethyl 2-chloro-5-[4-(hydroxymethyl)-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-epoxyisoindol-2-yl]benzoate
Catalog ID
STL387333
SMILES CCOC(=O)c1cc(ccc1Cl)N1C(=O)C2C(C1=O)C1(OC2C=C1)CO
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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 C18H16ClNO6 MW 377.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16ClNO6/c1-2-25-17(24)10-7-9(3-4-11(10)19)20-15(22)13-12-5-6-18(8-21,26-12)14(13)16(20)23/h3-7,12-14,21H,2,8H2,1H3InChIKey
AULAZAPDUBAZSH-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(C=CC(=C1)N2C(=O)C3C4C=CC(C3C2=O)(O4)CO)Cl
ethyl2chloro5(4(hydroxymethyl)13dioxo133a477ahexahydro2H47epoxyisoindol2yl)benzoate
ethyl2chloro5(7(hydroxymethyl)13dioxo47adihydro3aHoctahydro1H47epoxyisoindol2yl)benzoate
InChI=1SC18H16ClNO6c122517(24)1079(3411(10)19)2015(22)13125618(8212612)14(13)16(20)23h37121421H28H21H3
MFCD08726359
ZINC000104572517
ZINC000104572532
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