Vitas-M small molecule compound

propan-2-yl 1-oxo-2-(thiophen-2-ylmethyl)-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate

Catalog ID
STK384108
SMILES CC(OC(=O)C1C2C=CC3(C1C(=O)N(C3)Cc1cccs1)O2)C

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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 C17H19NO4S MW 333.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H19NO4S/c1-10(2)21-16(20)13-12-5-6-17(22-12)9-18(15(19)14(13)17)8-11-4-3-7-23-11/h3-7,10,12-14H,8-9H2,1-2H3
InChIKey
CCSGGTFSSREGNN-UHFFFAOYSA-N
Synonyms

(3aS6R7aR)isopropyl1oxo2(thiophen2ylmethyl)123677ahexahydro3a6epoxyisoindole7carboxylate
CC(C)OC(=O)C1C2C=CC3(C1C(=O)N(C3)CC4=CC=CS4)O2
CC(OC(=O)C1(C@H)2C=C(C@@)3((C@@H)1C(=O)N(C3)Cc1cccs1)O2)C
InChI=1SC17H19NO4Sc110(2)2116(20)13125617(2212)918(15(19)14(13)17)8114372311h37101214H89H212H3
MFCD04041445
propan2yl1oxo2(thiophen2ylmethyl)123677ahexahydro3a6epoxyisoindole7carboxylate
ZINC000141620389
ZINC000239030591

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.