Vitas-M small molecule compound
8,8-dimethyl-2-[(4-nitrobenzyl)sulfanyl]-3-phenyl-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-one
Catalog ID
STK845669
SMILES O=c1n(c2ccccc2)c(SCc2ccc(cc2)[N+](=O)[O-])nc2c1cc1COC(Cc1n2)(C)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 C25H22N4O4S MW 474.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22N4O4S/c1-25(2)13-21-17(14-33-25)12-20-22(26-21)27-24(28(23(20)30)18-6-4-3-5-7-18)34-15-16-8-10-19(11-9-16)29(31)32/h3-12H,13-15H2,1-2H3InChIKey
APLJGPZEZYOUOD-UHFFFAOYSA-NSynonyms
587010-32-0587010320
88dimethyl2((4nitrobenzyl)sulfanyl)3phenyl3689tetrahydro4Hpyrano(3456)pyrido(23d)pyrimidin4one
88dimethyl2((4nitrobenzyl)thio)3phenyl89dihydro3Hpyrano(3456)pyrido(23d)pyrimidin4(6H)one
88dimethyl2((4nitrophenyl)methylsulfanyl)3phenyl69dihydropyrano(34)pyrido(35b)pyrimidin4one
CC1(CC2=C(CO1)C=C3C(=N2)N=C(N(C3=O)C4=CC=CC=C4)SCC5=CC=C(C=C5)(N+)(=O)(O))C
InChI=1SC25H22N4O4Sc125(2)132117(143325)122022(2621)2724(28(23(20)30)186435718)34151681019(11916)29(31)32h312H1315H212H3
MFCD04033331
O=c1n(c2ccccc2)c(SCc2ccc(cc2)(N+)(=O)(O))nc2c1cc1COC(Cc1n2)(C)C
ZINC000001312887
ZINC01312887
ZINC1312887
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