Vitas-M small molecule compound
2-cyclopropyl-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid
Catalog ID
STK711095
SMILES OC(=O)C1C2C=CC3(C1C(=O)N(C3)C1CC1)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 C12H13NO4 MW 235.24 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H13NO4/c14-10-9-8(11(15)16)7-3-4-12(9,17-7)5-13(10)6-1-2-6/h3-4,6-9H,1-2,5H2,(H,15,16)InChIKey
SLJAGZPZSUTGAR-UHFFFAOYSA-NSynonyms
(3aS6R)2cyclopropyl1oxo123677ahexahydro3a6epoxyisoindole7carboxylicacid
2cyclopropyl1oxo123677ahexahydro3a6epoxyisoindole7carboxylicacid
C1CC1N2CC34C=CC(O3)C(C4C2=O)C(=O)O
InChI=1SC12H13NO4c141098(11(15)16)73412(9177)513(10)6126h3469H125H2(H1516)
MFCD03110627
OC(=O)C1(C@H)2C=C(C@@)3(C1C(=O)N(C3)C1CC1)O2
ZINC000101378678
ZINC000245328158
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