Vitas-M small molecule compound

4-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)-N-{5-[(2-oxo-2-phenylethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}butanamide

Catalog ID
STK807030
SMILES O=C(Nc1nnc(s1)SCC(=O)c1ccccc1)CCCn1c(=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 C26H20N4O4S2 MW 516.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H20N4O4S2/c31-20(16-7-2-1-3-8-16)15-35-26-29-28-25(36-26)27-21(32)13-6-14-30-23(33)18-11-4-9-17-10-5-12-19(22(17)18)24(30)34/h1-5,7-12H,6,13-15H2,(H,27,28,32)
InChIKey
DUYMHLRXFPTXBA-UHFFFAOYSA-N
Synonyms

4(13dioxo1Hbenzo(de)isoquinolin2(3H)yl)N(5((2oxo2phenylethyl)sulfanyl)134thiadiazol2yl)butanamide
4(13DIOXOBENZO(DE)ISOQUINOLIN2YL)N(5PHENACYLSULFANYL134THIADIAZOL2YL)BUTANAMIDE
C1=CC=C(C=C1)C(=O)CSC2=NN=C(S2)NC(=O)CCCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O
InChI=1SC26H20N4O4S2c3120(167213816)153526292825(3626)2721(32)136143023(33)181149171051219(22(17)18)24(30)34h15712H61315H2(H272832)
MFCD03621137
ZINC000015441639
ZINC15441639

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Available files

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