Vitas-M small molecule compound
ethyl 4-({5-[3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)butanoate
Catalog ID
STL444776
SMILES CCOC(=O)CCCSc1nnc(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 C29H28N4O4S MW 528.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H28N4O4S/c1-2-37-25(34)17-9-19-38-29-31-30-24(33(29)21-12-4-3-5-13-21)16-8-18-32-27(35)22-14-6-10-20-11-7-15-23(26(20)22)28(32)36/h3-7,10-15H,2,8-9,16-19H2,1H3InChIKey
FROTVWJTNPIUND-UHFFFAOYSA-NSynonyms
325476-36-6325476366
CCOC(=O)CCCSC1=NN=C(N1C2=CC=CC=C2)CCCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O
ethyl4((5(3(13dioxo1Hbenzo(de)isoquinolin2(3H)yl)propyl)4phenyl4H124triazol3yl)sulfanyl)butanoate
ETHYL4((5(3(13DIOXO1HBENZO(DE)ISOQUINOLIN2(3H)YL)PROPYL)4PHENYL4H124TRIAZOL3YL)THIO)BUTANOATE
ETHYL4((5(3(13DIOXOBENZO(DE)ISOQUINOLIN2YL)PROPYL)4PHENYL124TRIAZOL3YL)SULFANYL)BUTANOATE
InChI=1SC29H28N4O4Sc123725(34)179193829313024(33(29)21124351321)168183227(35)2214610201171523(26(20)22)28(32)36h371015H2891619H21H3
MFCD01925728
ZINC000008432992
ZINC08432992
ZINC8432992
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