Vitas-M small molecule compound
(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl [(5-cyano-6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]acetate
Catalog ID
STK121745
SMILES N#Cc1c(=O)[nH]c(nc1c1ccccc1)SCC(=O)OCN1C(=O)c2c(C1=O)cccc2
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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 C22H14N4O5S MW 446.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H14N4O5S/c23-10-16-18(13-6-2-1-3-7-13)24-22(25-19(16)28)32-11-17(27)31-12-26-20(29)14-8-4-5-9-15(14)21(26)30/h1-9H,11-12H2,(H,24,25,28)InChIKey
ZGDZONQNXRMWSM-UHFFFAOYSA-NSynonyms
676624-15-0(13DIOXO13DIHYDRO2HISOINDOL2YL)METHYL((5CYANO6OXO4PHENYL16DIHYDROPYRIMIDIN2YL)SULFANYL)ACETATE
(13DIOXOISOINDOL2YL)METHYL2((5CYANO4OXO6PHENYL1HPYRIMIDIN2YL)SULFANYL)ACETATE
676624150
C1=CC=C(C=C1)C2=C(C(=O)N=C(N2)SCC(=O)OCN3C(=O)C4=CC=CC=C4C3=O)C#N
InChI=1SC22H14N4O5Sc23101618(136213713)2422(2519(16)28)321117(27)31122620(29)14845915(14)21(26)30h19H1112H2(H242528)
MFCD02056538
N#Cc1c(=O)(nH)c(nc1c1ccccc1)SCC(=O)OCN1C(=O)c2c(C1=O)cccc2
ZINC000002758251
ZINC2758251
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