Vitas-M small molecule compound
2-[(4-phenyl-5-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-1H-benzo[de]isoquinoline-1,3(2H)-dione
Catalog ID
STK844118
SMILES O=c1n(Cc2nnc(n2c2ccccc2)SC/C=C/c2ccccc2)c(=O)c2c3c1cccc3ccc2
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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 C30H22N4O2S MW 502.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H22N4O2S/c35-28-24-17-7-13-22-14-8-18-25(27(22)24)29(36)33(28)20-26-31-32-30(34(26)23-15-5-2-6-16-23)37-19-9-12-21-10-3-1-4-11-21/h1-18H,19-20H2/b12-9+InChIKey
NXISCHZPXDCQKV-FMIVXFBMSA-NSynonyms
315239-19-1(E)2((5(cinnamylthio)4phenyl4H124triazol3yl)methyl)1Hbenzo(de)isoquinoline13(2H)dione
2((4phenyl5(((2E)3phenylprop2en1yl)sulfanyl)4H124triazol3yl)methyl)1Hbenzo(de)isoquinoline13(2H)dione
2((4PHENYL5((E)3PHENYLPROP2ENYL)SULFANYL124TRIAZOL3YL)METHYL)BENZO(DE)ISOQUINOLINE13DIONE
2((5(CINNAMYLSULFANYL)4PHENYL4H124TRIAZOL3YL)METHYL)1HBENZO(DE)ISOQUINOLINE13(2H)DIONE
315239191
C1=CC=C(C=C1)C=CCSC2=NN=C(N2C3=CC=CC=C3)CN4C(=O)C5=CC=CC6=C5C(=CC=C6)C4=O
InChI=1SC30H22N4O2Sc35282417713221481825(27(22)24)29(36)33(28)2026313230(34(26)23155261623)371991221103141121h118H1920H2b129+
MFCD02328343
O=c1n(Cc2nnc(n2c2ccccc2)SCC=Cc2ccccc2)c(=O)c2c3c1cccc3ccc2
ZINC000008432315
ZINC08432315
ZINC8432315
Check stock
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Check stock on Vitas-MAvailable files
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