Vitas-M small molecule compound
2-(benzylsulfanyl)-5-(3-hydroxyphenyl)-8,8-dimethyl-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Catalog ID
STK980809
SMILES Oc1cccc(c1)C1C2=C(Nc3c1c(=O)[nH]c(n3)SCc1ccccc1)CC(CC2=O)(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 C26H25N3O3S MW 459.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25N3O3S/c1-26(2)12-18-21(19(31)13-26)20(16-9-6-10-17(30)11-16)22-23(27-18)28-25(29-24(22)32)33-14-15-7-4-3-5-8-15/h3-11,20,30H,12-14H2,1-2H3,(H2,27,28,29,32)InChIKey
DDTSFVMDIJSLCR-UHFFFAOYSA-NSynonyms
537044-59-02(benzylsulfanyl)5(3hydroxyphenyl)88dimethyl58910tetrahydropyrimido(45b)quinoline46(3H7H)dione
2benzylsulfanyl5(3hydroxyphenyl)88dimethyl57910tetrahydro1Hpyrimido(45b)quinoline46dione
537044590
CC1(CC2=C(C(C3=C(N2)NC(=NC3=O)SCC4=CC=CC=C4)C5=CC(=CC=C5)O)C(=O)C1)C
InChI=1SC26H25N3O3Sc126(2)121821(19(31)1326)20(16961017(30)1116)2223(2718)2825(2924(22)32)3314157435815h3112030H1214H212H3(H227282932)
MFCD04457366
Oc1cccc(c1)C1C2=C(Nc3c1c(=O)(nH)c(n3)SCc1ccccc1)CC(CC2=O)(C)C
ZINC000017242384
ZINC000017242385
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