Vitas-M small molecule compound
2-[(2-chlorobenzyl)sulfanyl]-8,8-dimethyl-5-(pyridin-3-yl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Catalog ID
STK980837
SMILES O=C1CC(C)(C)CC2=C1C(c1cccnc1)c1c(N2)nc([nH]c1=O)SCc1ccccc1Cl
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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 C25H23ClN4O2S MW 479.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23ClN4O2S/c1-25(2)10-17-20(18(31)11-25)19(14-7-5-9-27-12-14)21-22(28-17)29-24(30-23(21)32)33-13-15-6-3-4-8-16(15)26/h3-9,12,19H,10-11,13H2,1-2H3,(H2,28,29,30,32)InChIKey
HLTNWUMCXDKGIV-UHFFFAOYSA-NSynonyms
2((2chlorobenzyl)sulfanyl)88dimethyl5(pyridin3yl)58910tetrahydropyrimido(45b)quinoline46(3H7H)dione
2((2chlorophenyl)methylsulfanyl)88dimethyl5pyridin3yl57910tetrahydro1Hpyrimido(45b)quinoline46dione
CC1(CC2=C(C(C3=C(N2)NC(=NC3=O)SCC4=CC=CC=C4Cl)C5=CN=CC=C5)C(=O)C1)C
InChI=1SC25H23ClN4O2Sc125(2)101720(18(31)1125)19(14759271214)2122(2817)2924(3023(21)32)331315634816(15)26h391219H101113H212H3(H228293032)
MFCD04457407
O=C1CC(C)(C)CC2=C1C(c1cccnc1)c1c(N2)nc((nH)c1=O)SCc1ccccc1Cl
ZINC000009781080
ZINC000009781084
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