Vitas-M small molecule compound
2-(4-methylbenzyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid
Catalog ID
STL240397
SMILES OC(=O)C1C2C=CC3(C1C(=O)N(C3)Cc1ccc(cc1)C)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/c1-10-2-4-11(5-3-10)8-18-9-17-7-6-12(22-17)13(16(20)21)14(17)15(18)19/h2-7,12-14H,8-9H2,1H3,(H,20,21)InChIKey
PKVCOKQSSUXSQE-UHFFFAOYSA-NSynonyms
(3aS6R7aR)2(4methylbenzyl)1oxo123677ahexahydro3a6epoxyisoindole7carboxylicacid
2(4methylbenzyl)1oxo123677ahexahydro3a6epoxyisoindole7carboxylicacid
CC1=CC=C(C=C1)CN2CC34C=CC(O3)C(C4C2=O)C(=O)O
InChI=1SC17H17NO4c1102411(5310)8189177612(2217)13(16(20)21)14(17)15(18)19h271214H89H21H3(H2021)
MFCD03110595
OC(=O)C1(C@H)2C=C(C@@)3((C@@H)1C(=O)N(C3)Cc1ccc(cc1)C)O2
ZINC000000217073
ZINC000016009736
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