Vitas-M small molecule compound
5-(3-hydroxyphenyl)-2-[(4-nitrobenzyl)sulfanyl]-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Catalog ID
STK980740
SMILES Oc1cccc(c1)C1C2=C(CCCC2=O)Nc2c1c(=O)[nH]c(n2)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 C24H20N4O5S MW 476.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H20N4O5S/c29-16-4-1-3-14(11-16)19-20-17(5-2-6-18(20)30)25-22-21(19)23(31)27-24(26-22)34-12-13-7-9-15(10-8-13)28(32)33/h1,3-4,7-11,19,29H,2,5-6,12H2,(H2,25,26,27,31)InChIKey
XGLNSAMAZDXEPS-UHFFFAOYSA-NSynonyms
5(3hydroxyphenyl)2((4nitrobenzyl)sulfanyl)58910tetrahydropyrimido(45b)quinoline46(3H7H)dione
5(3hydroxyphenyl)2((4nitrophenyl)methylsulfanyl)1578910hexahydropyrimido(45b)quinoline46dione
C1CC2=C(C(C3=C(N2)NC(=NC3=O)SCC4=CC=C(C=C4)(N+)(=O)(O))C5=CC(=CC=C5)O)C(=O)C1
InChI=1SC24H20N4O5Sc291641314(1116)192017(52618(20)30)252221(19)23(31)2724(2622)3412137915(10813)28(32)33h1347111929H25612H2(H225262731)
MFCD04457286
Oc1cccc(c1)C1C2=C(CCCC2=O)Nc2c1c(=O)(nH)c(n2)SCc1ccc(cc1)(N+)(=O)(O)
ZINC000002719228
ZINC000002719229
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