Vitas-M small molecule compound
pentyl {[3-(2-methylphenyl)-4-oxo-3,4,6,7,8,9-hexahydropyrimido[4,5-b]quinolin-2-yl]sulfanyl}acetate
Catalog ID
STK531365
SMILES CCCCCOC(=O)CSc1nc2nc3CCCCc3cc2c(=O)n1c1ccccc1C
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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 C25H29N3O3S MW 451.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H29N3O3S/c1-3-4-9-14-31-22(29)16-32-25-27-23-19(15-18-11-6-7-12-20(18)26-23)24(30)28(25)21-13-8-5-10-17(21)2/h5,8,10,13,15H,3-4,6-7,9,11-12,14,16H2,1-2H3InChIKey
STFOJVYMOGDDEA-UHFFFAOYSA-NSynonyms
CCCCCOC(=O)CSC1=NC2=NC3=C(CCCC3)C=C2C(=O)N1C4=CC=CC=C4C
InChI=1SC25H29N3O3Sc1349143122(29)163225272319(151811671220(18)2623)24(30)28(25)2113851017(21)2h58101315H3467911121416H212H3
MFCD02986375
pentyl((3(2methylphenyl)4oxo346789hexahydropyrimido(45b)quinolin2yl)sulfanyl)acetate
pentyl2((3(2methylphenyl)4oxo6789tetrahydropyrimido(45b)quinolin2yl)sulfanyl)acetate
pentyl2((4oxo3(otolyl)346789hexahydropyrimido(45b)quinolin2yl)thio)acetate
ZINC000002248425
ZINC02248425
ZINC2248425
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