Vitas-M small molecule compound

4-chloro-2-(1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl thiophene-2-carboxylate

Catalog ID
STK253757
SMILES Clc1ccc(c(c1)N1C(=O)C2C(C1=O)CCCC2)OC(=O)c1cccs1

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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 C19H16ClNO4S MW 389.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H16ClNO4S/c20-11-7-8-15(25-19(24)16-6-3-9-26-16)14(10-11)21-17(22)12-4-1-2-5-13(12)18(21)23/h3,6-10,12-13H,1-2,4-5H2
InChIKey
KHTGDESOGNSYBT-UHFFFAOYSA-N
Synonyms

(4chloro2(13dioxo3a45677ahexahydroisoindol2yl)phenyl)thiophene2carboxylate
4chloro2(13dioxooctahydro2Hisoindol2yl)phenylthiophene2carboxylate
C1CCC2C(C1)C(=O)N(C2=O)C3=C(C=CC(=C3)Cl)OC(=O)C4=CC=CS4
InChI=1SC19H16ClNO4Sc20117815(2519(24)166392616)14(1011)2117(22)12412513(12)18(21)23h36101213H1245H2
MFCD03274447
ZINC000018241735
ZINC000102088909

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Available files

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