Vitas-M small molecule compound

3-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)phenyl thiophene-2-carboxylate

Catalog ID
STK257705
SMILES O=C(c1cccs1)Oc1cccc(c1)N1C(=O)C2C(C1=O)C1CC2CC1

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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 C20H17NO4S MW 367.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17NO4S/c22-18-16-11-6-7-12(9-11)17(16)19(23)21(18)13-3-1-4-14(10-13)25-20(24)15-5-2-8-26-15/h1-5,8,10-12,16-17H,6-7,9H2
InChIKey
GNWACBUFBASGMC-UHFFFAOYSA-N
Synonyms

3(13DIOXOOCTAHYDRO2H47METHANOISOINDOL2YL)PHENYLTHIOPHENE2CARBOXYLATE
C1CC2CC1C3C2C(=O)N(C3=O)C4=CC(=CC=C4)OC(=O)C5=CC=CS5
InChI=1SC20H17NO4Sc221816116712(911)17(16)19(23)21(18)1331414(1013)2520(24)155282615h15810121617H679H2
MFCD03274454
ZINC000102088969
ZINC000102088982

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Available files

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