Vitas-M small molecule compound
2-(benzylsulfanyl)-5-(2-nitrophenyl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Catalog ID
STK981049
SMILES O=C1CCCC2=C1C(c1c(N2)nc([nH]c1=O)SCc1ccccc1)c1ccccc1[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 C24H20N4O4S MW 460.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H20N4O4S/c29-18-12-6-10-16-20(18)19(15-9-4-5-11-17(15)28(31)32)21-22(25-16)26-24(27-23(21)30)33-13-14-7-2-1-3-8-14/h1-5,7-9,11,19H,6,10,12-13H2,(H2,25,26,27,30)InChIKey
KQAZCPZIECZLJX-UHFFFAOYSA-NSynonyms
2(benzylsulfanyl)5(2nitrophenyl)58910tetrahydropyrimido(45b)quinoline46(3H7H)dione
2benzylsulfanyl5(2nitrophenyl)1578910hexahydropyrimido(45b)quinoline46dione
C1CC2=C(C(C3=C(N2)NC(=NC3=O)SCC4=CC=CC=C4)C5=CC=CC=C5(N+)(=O)(O))C(=O)C1
InChI=1SC24H20N4O4Sc2918126101620(18)19(159451117(15)28(31)32)2122(2516)2624(2723(21)30)3313147213814h15791119H6101213H2(H225262730)
MFCD04065217
O=C1CCCC2=C1C(c1c(N2)nc((nH)c1=O)SCc1ccccc1)c1ccccc1(N+)(=O)(O)
ZINC000044973759
ZINC000044973764
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