Vitas-M small molecule compound

2-methylpropyl 1-oxo-2-(1-phenylethyl)-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate

Catalog ID
STK384158
SMILES CC(N1CC23C(C1=O)C(C(O3)C=C2)C(=O)OCC(C)C)c1ccccc1

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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 C21H25NO4 MW 355.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25NO4/c1-13(2)11-25-20(24)17-16-9-10-21(26-16)12-22(19(23)18(17)21)14(3)15-7-5-4-6-8-15/h4-10,13-14,16-18H,11-12H2,1-3H3
InChIKey
NTGQCMRXASLWIR-UHFFFAOYSA-N
Synonyms

(3aS6R7aR)isobutyl1oxo2(1phenylethyl)123677ahexahydro3a6epoxyisoindole7carboxylate
2methylpropyl1oxo2(1phenylethyl)123677ahexahydro3a6epoxyisoindole7carboxylate
CC(C)COC(=O)C1C2C=CC3(C1C(=O)N(C3)C(C)C4=CC=CC=C4)O2
CC(N1C(C@@)23(C@H)(C1=O)C((C@H)(O3)C=C2)C(=O)OCC(C)C)c1ccccc1
InChI=1SC21H25NO4c113(2)112520(24)171691021(2616)1222(19(23)18(17)21)14(3)157546815h41013141618H1112H213H3
MFCD03849265
ZINC000226705381
ZINC000239165244

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Available files

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