Vitas-M small molecule compound

ethyl 4-[1,3-dioxo-5-(1,3-thiazol-2-ylcarbamoyl)-1,3-dihydro-2H-isoindol-2-yl]benzoate

Catalog ID
STK083787
SMILES CCOC(=O)c1ccc(cc1)N1C(=O)c2c(C1=O)cc(cc2)C(=O)Nc1nccs1

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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 C21H15N3O5S MW 421.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H15N3O5S/c1-2-29-20(28)12-3-6-14(7-4-12)24-18(26)15-8-5-13(11-16(15)19(24)27)17(25)23-21-22-9-10-30-21/h3-11H,2H2,1H3,(H,22,23,25)
InChIKey
IRFJJQMSLKGBCX-UHFFFAOYSA-N
Synonyms
351424-35-6
351424356
CCOC(=O)C1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NC4=NC=CS4
CCOC(=O)c1ccc(cc1)N1C(=O)c2c(C1=O)cc(cc2)C(=O)Nc1nccs1
ETHYL4(13DIOXO5(13THIAZOL2YLCARBAMOYL)13DIHYDRO2HISOINDOL2YL)BENZOATE
ETHYL4(13DIOXO5(13THIAZOL2YLCARBAMOYL)ISOINDOL2YL)BENZOATE
ethyl4(13dioxo5(thiazol2ylcarbamoyl)isoindolin2yl)benzoate
InChI=1SC21H15N3O5Sc122920(28)123614(7412)2418(26)158513(1116(15)19(24)27)17(25)2321229103021h311H2H21H3(H222325)
MFCD02018021
STK083787
ZINC000002312111
ZINC02312111
ZINC2312111

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Available files

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