Vitas-M small molecule compound

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

Catalog ID
STK846053
SMILES CCOC(=O)c1s/c(=N/C(=O)CCCn2c(=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 C23H21N3O5S MW 451.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21N3O5S/c1-3-31-22(30)19-13(2)24-23(32-19)25-17(27)11-6-12-26-20(28)15-9-4-7-14-8-5-10-16(18(14)15)21(26)29/h4-5,7-10H,3,6,11-12H2,1-2H3,(H,24,25,27)
InChIKey
FALSZNIOWLNIIB-UHFFFAOYSA-N
Synonyms
384353-56-4
384353564
CCOC(=O)C1=C(N=C(S1)NC(=O)CCCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)C
CCOC(=O)c1sc(=NC(=O)CCCn2c(=O)c3cccc4c3c(c2=O)ccc4)(nH)c1C
ethyl(2E)2((4(13dioxo1Hbenzo(de)isoquinolin2(3H)yl)butanoyl)imino)4methyl23dihydro13thiazole5carboxylate
ETHYL2(4(13DIOXO1HBENZO(DE)ISOQUINOLIN2(3H)YL)BUTANAMIDO)4METHYLTHIAZOLE5CARBOXYLATE
ETHYL2(4(13DIOXOBENZO(DE)ISOQUINOLIN2YL)BUTANOYLAMINO)4METHYL13THIAZOLE5CARBOXYLATE
InChI=1SC23H21N3O5Sc133122(30)1913(2)2423(3219)2517(27)116122620(28)1594714851016(18(14)15)21(26)29h45710H361112H212H3(H242527)
MFCD03808120
ZINC000017146176
ZINC17146176

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Available files

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