Vitas-M small molecule compound

ethyl (2E)-2-{[6-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)hexanoyl]imino}-4-methyl-2,3-dihydro-1,3-thiazole-5-carboxylate

Catalog ID
STK846784
SMILES CCOC(=O)c1s/c(=N/C(=O)CCCCCn2c(=O)c3cccc4c3c(c2=O)ccc4)/[nH]c1C

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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 C25H25N3O5S MW 479.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25N3O5S/c1-3-33-24(32)21-15(2)26-25(34-21)27-19(29)13-5-4-6-14-28-22(30)17-11-7-9-16-10-8-12-18(20(16)17)23(28)31/h7-12H,3-6,13-14H2,1-2H3,(H,26,27,29)
InChIKey
MYCHZEKMMVYRBP-UHFFFAOYSA-N
Synonyms
384800-26-4
2(6(13DIOXO1H3HBENZO(DE)ISOQUINOLIN2YL)HEXANOYLAMINO)4METHYLTHIAZOLE5CARBOXYLICACIDETHYLESTER
384800264
CCOC(=O)C1=C(N=C(S1)NC(=O)CCCCCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)C
CCOC(=O)c1sc(=NC(=O)CCCCCn2c(=O)c3cccc4c3c(c2=O)ccc4)(nH)c1C
ethyl(2E)2((6(13dioxo1Hbenzo(de)isoquinolin2(3H)yl)hexanoyl)imino)4methyl23dihydro13thiazole5carboxylate
ETHYL2(6(13DIOXO1HBENZO(DE)ISOQUINOLIN2(3H)YL)HEXANAMIDO)4METHYLTHIAZOLE5CARBOXYLATE
ETHYL2(6(13DIOXOBENZO(DE)ISOQUINOLIN2YL)HEXANOYLAMINO)4METHYL13THIAZOLE5CARBOXYLATE
InChI=1SC25H25N3O5Sc133324(32)2115(2)2625(3421)2719(29)13546142822(30)171179161081218(20(16)17)23(28)31h712H361314H212H3(H262729)
MFCD03797123
ZINC000016946349
ZINC16946349

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Available files

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