Vitas-M small molecule compound

5-(1,3-benzodioxol-5-yl)-2-[(2-fluorobenzyl)sulfanyl]-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione

Catalog ID
STK980720
SMILES O=C1CCCC2=C1C(c1ccc3c(c1)OCO3)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 C25H20FN3O4S MW 477.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20FN3O4S/c26-15-5-2-1-4-14(15)11-34-25-28-23-22(24(31)29-25)20(21-16(27-23)6-3-7-17(21)30)13-8-9-18-19(10-13)33-12-32-18/h1-2,4-5,8-10,20H,3,6-7,11-12H2,(H2,27,28,29,31)
InChIKey
KXORXYLSWBMZRH-UHFFFAOYSA-N
Synonyms

5(13benzodioxol5yl)2((2fluorobenzyl)sulfanyl)58910tetrahydropyrimido(45b)quinoline46(3H7H)dione
5(13benzodioxol5yl)2((2fluorophenyl)methylsulfanyl)1578910hexahydropyrimido(45b)quinoline46dione
C1CC2=C(C(C3=C(N2)NC(=NC3=O)SCC4=CC=CC=C4F)C5=CC6=C(C=C5)OCO6)C(=O)C1
InChI=1SC25H20FN3O4Sc2615521414(15)113425282322(24(31)2925)20(2116(2723)63717(21)30)13891819(1013)33123218h124581020H3671112H2(H227282931)
MFCD04065221
O=C1CCCC2=C1C(c1ccc3c(c1)OCO3)c1c(N2)nc((nH)c1=O)SCc1ccccc1F
ZINC000000959857
ZINC000000959858
ZINC00959857

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Available files

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