Vitas-M small molecule compound
2-({5-[3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(furan-2-ylmethyl)acetamide
Catalog ID
STK542560
SMILES O=C(NCc1ccco1)CSc1nnc(n1c1ccccc1)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 C30H25N5O4S MW 551.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H25N5O4S/c36-26(31-18-22-12-7-17-39-22)19-40-30-33-32-25(35(30)21-10-2-1-3-11-21)15-6-16-34-28(37)23-13-4-8-20-9-5-14-24(27(20)23)29(34)38/h1-5,7-14,17H,6,15-16,18-19H2,(H,31,36)InChIKey
WOTVOLXXCFCDIW-UHFFFAOYSA-NSynonyms
2((5(3(13dioxo1Hbenzo(de)isoquinolin2(3H)yl)propyl)4phenyl4H124triazol3yl)sulfanyl)N(furan2ylmethyl)acetamide
2((5(3(13dioxo1Hbenzo(de)isoquinolin2(3H)yl)propyl)4phenyl4H124triazol3yl)thio)N(furan2ylmethyl)acetamide
2((5(3(13DIOXOBENZO(DE)ISOQUINOLIN2YL)PROPYL)4PHENYL124TRIAZOL3YL)SULFANYL)N(FURAN2YLMETHYL)ACETAMIDE
C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NCC3=CC=CO3)CCCN4C(=O)C5=CC=CC6=C5C(=CC=C6)C4=O
InChI=1SC30H25N5O4Sc3626(311822127173922)194030333225(35(30)21102131121)156163428(37)23134820951424(27(20)23)29(34)38h1571417H615161819H2(H3136)
MFCD02970298
ZINC000006144416
ZINC6144416
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