Vitas-M small molecule compound
2-(benzylsulfanyl)-8,8-dimethyl-5-phenyl-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Catalog ID
STK980802
SMILES O=C1CC(C)(C)CC2=C1C(c1ccccc1)c1c(N2)nc([nH]c1=O)SCc1ccccc1
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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 C26H25N3O2S MW 443.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25N3O2S/c1-26(2)13-18-21(19(30)14-26)20(17-11-7-4-8-12-17)22-23(27-18)28-25(29-24(22)31)32-15-16-9-5-3-6-10-16/h3-12,20H,13-15H2,1-2H3,(H2,27,28,29,31)InChIKey
APLKEYLPLCHNJF-UHFFFAOYSA-NSynonyms
2(benzylsulfanyl)88dimethyl5phenyl58910tetrahydropyrimido(45b)quinoline46(3H7H)dione
2benzylsulfanyl88dimethyl5phenyl57910tetrahydro1Hpyrimido(45b)quinoline46dione
CC1(CC2=C(C(C3=C(N2)NC(=NC3=O)SCC4=CC=CC=C4)C5=CC=CC=C5)C(=O)C1)C
InChI=1SC26H25N3O2Sc126(2)131821(19(30)1426)20(17117481217)2223(2718)2825(2924(22)31)32151695361016h31220H1315H212H3(H227282931)
MFCD04457358
O=C1CC(C)(C)CC2=C1C(c1ccccc1)c1c(N2)nc((nH)c1=O)SCc1ccccc1
ZINC000017242390
ZINC000017242395
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