Vitas-M small molecule compound
2-(3-{5-[(2-oxo-2-phenylethyl)sulfanyl]-4-phenyl-4H-1,2,4-triazol-3-yl}propyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
Catalog ID
STK807044
SMILES O=C(c1ccccc1)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 C31H24N4O3S MW 532.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H24N4O3S/c36-26(21-10-3-1-4-11-21)20-39-31-33-32-27(35(31)23-14-5-2-6-15-23)18-9-19-34-29(37)24-16-7-12-22-13-8-17-25(28(22)24)30(34)38/h1-8,10-17H,9,18-20H2InChIKey
AAQPRYOFFRLYEB-UHFFFAOYSA-NSynonyms
496775-89-42(3(5((2oxo2phenylethyl)sulfanyl)4phenyl4H124triazol3yl)propyl)1Hbenzo(de)isoquinoline13(2H)dione
2(3(5((2OXO2PHENYLETHYL)THIO)4PHENYL4H124TRIAZOL3YL)PROPYL)1HBENZO(DE)ISOQUINOLINE13(2H)DIONE
2(3(5PHENACYLSULFANYL4PHENYL124TRIAZOL3YL)PROPYL)BENZO(DE)ISOQUINOLINE13DIONE
496775894
C1=CC=C(C=C1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)CCCN4C(=O)C5=CC=CC6=C5C(=CC=C6)C4=O
InChI=1SC31H24N4O3Sc3626(21103141121)203931333227(35(31)23145261523)189193429(37)2416712221381725(28(22)24)30(34)38h181017H91820H2
MFCD03621200
ZINC000097986509
ZINC97986509
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