Vitas-M small molecule compound

N-benzyl-2-({5-[5-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)pentyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetamide

Catalog ID
STL444000
SMILES O=C(CSc1nnc(o1)CCCCCn1c(=O)c2cccc3c2c(c1=O)ccc3)NCc1ccccc1

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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 C28H26N4O4S MW 514.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H26N4O4S/c33-23(29-17-19-9-3-1-4-10-19)18-37-28-31-30-24(36-28)15-5-2-6-16-32-26(34)21-13-7-11-20-12-8-14-22(25(20)21)27(32)35/h1,3-4,7-14H,2,5-6,15-18H2,(H,29,33)
InChIKey
SOFOJVFSSDXXEP-UHFFFAOYSA-N
Synonyms

C1=CC=C(C=C1)CNC(=O)CSC2=NN=C(O2)CCCCCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O
InChI=1SC28H26N4O4Sc3323(29171993141019)183728313024(3628)15526163226(34)2113711201281422(25(20)21)27(32)35h134714H2561518H2(H2933)
MFCD03147458
Nbenzyl2((5(5(13dioxo1Hbenzo(de)isoquinolin2(3H)yl)pentyl)134oxadiazol2yl)sulfanyl)acetamide
NBENZYL2((5(5(13DIOXOBENZO(DE)ISOQUINOLIN2YL)PENTYL)134OXADIAZOL2YL)SULFANYL)ACETAMIDE
ZINC000016790400
ZINC16790400

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Available files

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