Vitas-M small molecule compound
2-benzyl-7-methyl-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid
Catalog ID
STK082430
SMILES OC(=O)C1(C)C2C=CC3(C1C(=O)N(C3)Cc1ccccc1)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 C17H17NO4 MW 299.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17NO4/c1-16(15(20)21)12-7-8-17(22-12)10-18(14(19)13(16)17)9-11-5-3-2-4-6-11/h2-8,12-13H,9-10H2,1H3,(H,20,21)InChIKey
YNJJBKGMDPSRKI-UHFFFAOYSA-NSynonyms
(3aS6R7aR)2benzyl7methyl1oxo123677ahexahydro3a6epoxyisoindole7carboxylicacid
2benzyl7methyl1oxo123677ahexahydro3a6epoxyisoindole7carboxylicacid
CC1(C2C=CC3(C1C(=O)N(C3)CC4=CC=CC=C4)O2)C(=O)O
InChI=1SC17H17NO4c116(15(20)21)127817(2212)1018(14(19)13(16)17)9115324611h281213H910H21H3(H2021)
MFCD02766448
OC(=O)C1(C)(C@H)2C=C(C@@)3((C@@H)1C(=O)N(C3)Cc1ccccc1)O2
OC(=O)C1(C)C2C=CC3(C1C(=O)N(C3)Cc1ccccc1)O2
STK082430
ZINC000100878111
ZINC000239254618
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