Vitas-M small molecule compound
ethyl 3-({[(3aS,6R,7aR)-2-(4-methoxyphenyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindol-7-yl]carbonyl}amino)benzoate
Catalog ID
STK614766
SMILES CCOC(=O)c1cccc(c1)NC(=O)C1[C@@H]2C=C[C@@]3([C@@H]1C(=O)N(C3)c1ccc(cc1)OC)O2
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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 C25H24N2O6 MW 448.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24N2O6/c1-3-32-24(30)15-5-4-6-16(13-15)26-22(28)20-19-11-12-25(33-19)14-27(23(29)21(20)25)17-7-9-18(31-2)10-8-17/h4-13,19-21H,3,14H2,1-2H3,(H,26,28)/t19-,20?,21+,25-/m1/s1InChIKey
YIZDFQHPOKSVMG-NCXWNNBYSA-NSynonyms
CCOC(=O)c1cccc(c1)NC(=O)(C@@H)1(C@H)2C=C(C@)3((C@@H)1C(=O)N(C3)c1ccc(cc1)OC)O2
CCOC(=O)c1cccc(c1)NC(=O)C1(C@@H)2C=C(C@@)3((C@@H)1C(=O)N(C3)c1ccc(cc1)OC)O2
ethyl3((((3aS6R7aR)2(4methoxyphenyl)1oxo123677ahexahydro3a6epoxyisoindol7yl)carbonyl)amino)benzoate
ethyl3((3aS6R7aR)2(4methoxyphenyl)1oxo123677ahexahydro3a6epoxyisoindole7carboxamido)benzoate
MFCD18246314
ZINC000009340479
ZINC000009340481
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