Vitas-M small molecule compound

2-[3-({4-phenyl-5-[(quinolin-8-yloxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)propyl]-1H-benzo[de]isoquinoline-1,3(2H)-dione

Catalog ID
STK807777
SMILES O=c1c2cccc3c2c(c(=O)n1CCCSc1nnc(n1c1ccccc1)COc1cccc2c1nccc2)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 C33H25N5O3S MW 571.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H25N5O3S/c39-31-25-15-4-9-22-10-5-16-26(29(22)25)32(40)37(31)19-8-20-42-33-36-35-28(38(33)24-13-2-1-3-14-24)21-41-27-17-6-11-23-12-7-18-34-30(23)27/h1-7,9-18H,8,19-21H2
InChIKey
ATEWIPKKIJKBAM-UHFFFAOYSA-N
Synonyms

2(3((4phenyl5((quinolin8yloxy)methyl)4H124triazol3yl)sulfanyl)propyl)1Hbenzo(de)isoquinoline13(2H)dione
2(3((4phenyl5(quinolin8yloxymethyl)124triazol3yl)sulfanyl)propyl)benzo(de)isoquinoline13dione
C1=CC=C(C=C1)N2C(=NN=C2SCCCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O)COC6=CC=CC7=C6N=CC=C7
InChI=1SC33H25N5O3Sc3931251549221051626(29(22)25)32(40)37(31)198204233363528(38(33)24132131424)2141271761123127183430(23)27h17918H81921H2
MFCD05885186
ZINC000097987848
ZINC97987848

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Available files

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