Vitas-M small molecule compound
5-[4-(dimethylamino)phenyl]-2-[(2-fluorobenzyl)sulfanyl]-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Catalog ID
STK980722
SMILES O=C1CCCC2=C1C(c1ccc(cc1)N(C)C)c1c(N2)nc([nH]c1=O)SCc1ccccc1F
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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 C26H25FN4O2S MW 476.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25FN4O2S/c1-31(2)17-12-10-15(11-13-17)21-22-19(8-5-9-20(22)32)28-24-23(21)25(33)30-26(29-24)34-14-16-6-3-4-7-18(16)27/h3-4,6-7,10-13,21H,5,8-9,14H2,1-2H3,(H2,28,29,30,33)InChIKey
CQMIVNKKEQJAFR-UHFFFAOYSA-NSynonyms
5(4(dimethylamino)phenyl)2((2fluorobenzyl)sulfanyl)58910tetrahydropyrimido(45b)quinoline46(3H7H)dione
5(4(dimethylamino)phenyl)2((2fluorophenyl)methylsulfanyl)1578910hexahydropyrimido(45b)quinoline46dione
CN(C)C1=CC=C(C=C1)C2C3=C(CCCC3=O)NC4=C2C(=O)N=C(N4)SCC5=CC=CC=C5F
InChI=1SC26H25FN4O2Sc131(2)17121015(111317)212219(85920(22)32)282423(21)25(33)3026(2924)341416634718(16)27h3467101321H58914H212H3(H228293033)
MFCD04457307
O=C1CCCC2=C1C(c1ccc(cc1)N(C)C)c1c(N2)nc((nH)c1=O)SCc1ccccc1F
ZINC000009780983
ZINC000009780988
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