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2-({5-[5-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)pentyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(pyridin-3-ylmethyl)acetamide

Catalog ID
STL444017
SMILES O=C(CSc1nnc(n1c1ccccc1)CCCCCn1c(=O)c2cccc3c2c(c1=O)ccc3)NCc1cccnc1

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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 C33H30N6O3S MW 590.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H30N6O3S/c40-29(35-21-23-10-9-18-34-20-23)22-43-33-37-36-28(39(33)25-13-3-1-4-14-25)17-5-2-6-19-38-31(41)26-15-7-11-24-12-8-16-27(30(24)26)32(38)42/h1,3-4,7-16,18,20H,2,5-6,17,19,21-22H2,(H,35,40)
InChIKey
YEOKRHJQUBTIQL-UHFFFAOYSA-N
Synonyms
315695-64-8
2((5(5(13DIOXO1HBENZO(DE)ISOQUINOLIN2(3H)YL)PENTYL)4PHENYL4H124TRIAZOL3YL)SULFANYL)N(3PYRIDINYLMETHYL)ACETAMIDE
2((5(5(13dioxo1Hbenzo(de)isoquinolin2(3H)yl)pentyl)4phenyl4H124triazol3yl)sulfanyl)N(pyridin3ylmethyl)acetamide
2((5(5(13DIOXO1HBENZO(DE)ISOQUINOLIN2(3H)YL)PENTYL)4PHENYL4H124TRIAZOL3YL)THIO)N(PYRIDIN3YLMETHYL)ACETAMIDE
2((5(5(13DIOXOBENZO(DE)ISOQUINOLIN2YL)PENTYL)4PHENYL124TRIAZOL3YL)SULFANYL)N(PYRIDIN3YLMETHYL)ACETAMIDE
315695648
C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NCC3=CN=CC=C3)CCCCCN4C(=O)C5=CC=CC6=C5C(=CC=C6)C4=O
InChI=1SC33H30N6O3Sc4029(35212310918342023)224333373628(39(33)25133141425)17526193831(41)2615711241281627(30(24)26)32(38)42h1347161820H25617192122H2(H3540)
MFCD02329934
ZINC000008432863
ZINC08432863
ZINC8432863

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Available files

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