Vitas-M small molecule compound
propan-2-yl 2-(diphenylmethyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate
Catalog ID
STK384136
SMILES CC(OC(=O)C1C2C=CC3(C1C(=O)N(C3)C(c1ccccc1)c1ccccc1)O2)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 C25H25NO4 MW 403.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25NO4/c1-16(2)29-24(28)20-19-13-14-25(30-19)15-26(23(27)21(20)25)22(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-14,16,19-22H,15H2,1-2H3InChIKey
JJCYSELBNHRKNJ-UHFFFAOYSA-NSynonyms
(3aS6R7aR)isopropyl2benzhydryl1oxo123677ahexahydro3a6epoxyisoindole7carboxylate
CC(C)OC(=O)C1C2C=CC3(C1C(=O)N(C3)C(C4=CC=CC=C4)C5=CC=CC=C5)O2
CC(OC(=O)C1(C@H)2C=C(C@@)3((C@@H)1C(=O)N(C3)C(c1ccccc1)c1ccccc1)O2)C
InChI=1SC25H25NO4c116(2)2924(28)2019131425(3019)1526(23(27)21(20)25)22(1795361017)18117481218h314161922H15H212H3
MFCD04041468
propan2yl2(diphenylmethyl)1oxo123677ahexahydro3a6epoxyisoindole7carboxylate
ZINC000100886110
ZINC000239121134
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