Vitas-M small molecule compound
2-methylpropyl 2-[1-(4-bromophenyl)ethyl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate
Catalog ID
STK384223
SMILES CC(N1CC23C(C1=O)C(C(O3)C=C2)C(=O)OCC(C)C)c1ccc(cc1)Br
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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 C21H24BrNO4 MW 434.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24BrNO4/c1-12(2)10-26-20(25)17-16-8-9-21(27-16)11-23(19(24)18(17)21)13(3)14-4-6-15(22)7-5-14/h4-9,12-13,16-18H,10-11H2,1-3H3InChIKey
DDFQFNJRRUYFJF-UHFFFAOYSA-NSynonyms
(3aS6R7aR)isobutyl2(1(4bromophenyl)ethyl)1oxo123677ahexahydro3a6epoxyisoindole7carboxylate
2methylpropyl2(1(4bromophenyl)ethyl)1oxo123677ahexahydro3a6epoxyisoindole7carboxylate
CC(C)COC(=O)C1C2C=CC3(C1C(=O)N(C3)C(C)C4=CC=C(C=C4)Br)O2
CC(N1C(C@@)23(C@H)(C1=O)C((C@H)(O3)C=C2)C(=O)OCC(C)C)c1ccc(cc1)Br
InChI=1SC21H24BrNO4c112(2)102620(25)17168921(2716)1123(19(24)18(17)21)13(3)144615(22)7514h4912131618H1011H213H3
MFCD04041486
ZINC000100886309
ZINC000239038414
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