Vitas-M small molecule compound

ethyl 2-{[(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)acetyl]amino}-4-methyl-1,3-thiazole-5-carboxylate

Catalog ID
STK841560
SMILES CCOC(=O)c1sc(nc1C)NC(=O)Cn1c(=O)c2cccc3c2c(c1=O)ccc3

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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 C21H17N3O5S MW 423.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17N3O5S/c1-3-29-20(28)17-11(2)22-21(30-17)23-15(25)10-24-18(26)13-8-4-6-12-7-5-9-14(16(12)13)19(24)27/h4-9H,3,10H2,1-2H3,(H,22,23,25)
InChIKey
SBOHWOGOWLBEDG-UHFFFAOYSA-N
Synonyms
494825-84-2
2(2(13DIOXO1H3HBENZO(DE)ISOQUINOLIN2YL)ACETYLAMINO)4METHYLTHIAZOLE5CARBOXYLICACIDETHYLESTER
494825842
CCOC(=O)C1=C(N=C(S1)NC(=O)CN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)C
ethyl2(((13dioxo1Hbenzo(de)isoquinolin2(3H)yl)acetyl)amino)4methyl13thiazole5carboxylate
ETHYL2((2(13DIOXOBENZO(DE)ISOQUINOLIN2YL)ACETYL)AMINO)4METHYL13THIAZOLE5CARBOXYLATE
ETHYL2(2(13DIOXO1HBENZO(DE)ISOQUINOLIN2(3H)YL)ACETAMIDO)4METHYLTHIAZOLE5CARBOXYLATE
InChI=1SC21H17N3O5Sc132920(28)1711(2)2221(3017)2315(25)102418(26)138461275914(16(12)13)19(24)27h49H310H212H3(H222325)
MFCD03304084
ZINC000008768905
ZINC08768905
ZINC8768905

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Available files

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