Vitas-M small molecule compound
2-{5-[3-(2-hydroxyethyl)-5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl]pentyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione
Catalog ID
STL079521
SMILES OCCn1c(CCCCCn2c(=O)c3cccc4c3c(c2=O)ccc4)nc2c(c1=O)c(C)c(s2)C
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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 C27H27N3O4S MW 489.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N3O4S/c1-16-17(2)35-24-22(16)27(34)29(14-15-31)21(28-24)12-4-3-5-13-30-25(32)19-10-6-8-18-9-7-11-20(23(18)19)26(30)33/h6-11,31H,3-5,12-15H2,1-2H3InChIKey
ABRGPXRKINXPSY-UHFFFAOYSA-NSynonyms
446278-61-12(5(3(2hydroxyethyl)56dimethyl4oxo34dihydrothieno(23d)pyrimidin2yl)pentyl)1Hbenzo(de)isoquinoline13(2H)dione
2(5(3(2HYDROXYETHYL)56DIMETHYL4OXOTHIENO(23D)PYRIMIDIN2YL)PENTYL)BENZO(DE)ISOQUINOLINE13DIONE
446278611
CC1=C(SC2=C1C(=O)N(C(=N2)CCCCCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O)CCO)C
InChI=1SC27H27N3O4Sc11617(2)352422(16)27(34)29(141531)21(2824)12435133025(32)19106818971120(23(18)19)26(30)33h61131H351215H212H3
MFCD03109926
ZINC000008915291
ZINC08915291
ZINC8915291
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