Vitas-M small molecule compound
8,8-dimethyl-2-[(4-nitrobenzyl)sulfanyl]-5-phenyl-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Catalog ID
STK980840
SMILES O=C1CC(C)(C)CC2=C1C(c1ccccc1)c1c(N2)nc([nH]c1=O)SCc1ccc(cc1)[N+](=O)[O-]
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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 C26H24N4O4S MW 488.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H24N4O4S/c1-26(2)12-18-21(19(31)13-26)20(16-6-4-3-5-7-16)22-23(27-18)28-25(29-24(22)32)35-14-15-8-10-17(11-9-15)30(33)34/h3-11,20H,12-14H2,1-2H3,(H2,27,28,29,32)InChIKey
JGHPAEFMJZVYQZ-UHFFFAOYSA-NSynonyms
537044-71-6537044716
88dimethyl2((4nitrobenzyl)sulfanyl)5phenyl58910tetrahydropyrimido(45b)quinoline46(3H7H)dione
88dimethyl2((4nitrophenyl)methylsulfanyl)5phenyl57910tetrahydro1Hpyrimido(45b)quinoline46dione
CC1(CC2=C(C(C3=C(N2)NC(=NC3=O)SCC4=CC=C(C=C4)(N+)(=O)(O))C5=CC=CC=C5)C(=O)C1)C
InChI=1SC26H24N4O4Sc126(2)121821(19(31)1326)20(166435716)2223(2718)2825(2924(22)32)35141581017(11915)30(33)34h31120H1214H212H3(H227282932)
MFCD04457374
O=C1CC(C)(C)CC2=C1C(c1ccccc1)c1c(N2)nc((nH)c1=O)SCc1ccc(cc1)(N+)(=O)(O)
ZINC000017242333
ZINC000017242337
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