Vitas-M small molecule compound
5-(4-ethoxyphenyl)-2-(ethylsulfanyl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Catalog ID
STK980664
SMILES CCOc1ccc(cc1)C1C2=C(CCCC2=O)Nc2c1c(=O)[nH]c(n2)SCC
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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 C21H23N3O3S MW 397.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N3O3S/c1-3-27-13-10-8-12(9-11-13)16-17-14(6-5-7-15(17)25)22-19-18(16)20(26)24-21(23-19)28-4-2/h8-11,16H,3-7H2,1-2H3,(H2,22,23,24,26)InChIKey
CBXJXILURHSSSV-UHFFFAOYSA-NSynonyms
5(4ethoxyphenyl)2(ethylsulfanyl)58910tetrahydropyrimido(45b)quinoline46(3H7H)dione
5(4ethoxyphenyl)2ethylsulfanyl1578910hexahydropyrimido(45b)quinoline46dione
CCOC1=CC=C(C=C1)C2C3=C(CCCC3=O)NC4=C2C(=O)N=C(N4)SCC
CCOc1ccc(cc1)C1C2=C(CCCC2=O)Nc2c1c(=O)(nH)c(n2)SCC
InChI=1SC21H23N3O3Sc13271310812(91113)161714(65715(17)25)221918(16)20(26)2421(2319)2842h81116H37H212H3(H222232426)
MFCD04457248
ZINC000005997523
ZINC000005997552
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