Vitas-M small molecule compound
2-[(2-chlorobenzyl)sulfanyl]-5-(3-hydroxyphenyl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Catalog ID
STK980729
SMILES Oc1cccc(c1)C1C2=C(CCCC2=O)Nc2c1c(=O)[nH]c(n2)SCc1ccccc1Cl
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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 C24H20ClN3O3S MW 465.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H20ClN3O3S/c25-16-8-2-1-5-14(16)12-32-24-27-22-21(23(31)28-24)19(13-6-3-7-15(29)11-13)20-17(26-22)9-4-10-18(20)30/h1-3,5-8,11,19,29H,4,9-10,12H2,(H2,26,27,28,31)InChIKey
YCSSQHDQQPVPDA-UHFFFAOYSA-NSynonyms
2((2chlorobenzyl)sulfanyl)5(3hydroxyphenyl)58910tetrahydropyrimido(45b)quinoline46(3H7H)dione
2((2chlorophenyl)methylsulfanyl)5(3hydroxyphenyl)1578910hexahydropyrimido(45b)quinoline46dione
C1CC2=C(C(C3=C(N2)NC(=NC3=O)SCC4=CC=CC=C4Cl)C5=CC(=CC=C5)O)C(=O)C1
InChI=1SC24H20ClN3O3Sc2516821514(16)123224272221(23(31)2824)19(1363715(29)1113)2017(2622)941018(20)30h1358111929H491012H2(H226272831)
MFCD04457318
Oc1cccc(c1)C1C2=C(CCCC2=O)Nc2c1c(=O)(nH)c(n2)SCc1ccccc1Cl
ZINC000017177780
ZINC000017177782
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