Vitas-M small molecule compound
5-[4-(propan-2-yl)phenyl]-2-(propan-2-ylsulfanyl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Catalog ID
STK918635
SMILES CC(Sc1nc2NC3=C(C(c2c(=O)[nH]1)c1ccc(cc1)C(C)C)C(=O)CCC3)C
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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 C23H27N3O2S MW 409.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H27N3O2S/c1-12(2)14-8-10-15(11-9-14)18-19-16(6-5-7-17(19)27)24-21-20(18)22(28)26-23(25-21)29-13(3)4/h8-13,18H,5-7H2,1-4H3,(H2,24,25,26,28)InChIKey
FOIYAXPTZCYJCX-UHFFFAOYSA-NSynonyms
5(4(propan2yl)phenyl)2(propan2ylsulfanyl)58910tetrahydropyrimido(45b)quinoline46(3H7H)dione
5(4propan2ylphenyl)2propan2ylsulfanyl1578910hexahydropyrimido(45b)quinoline46dione
CC(C)C1=CC=C(C=C1)C2C3=C(CCCC3=O)NC4=C2C(=O)N=C(N4)SC(C)C
CC(Sc1nc2NC3=C(C(c2c(=O)(nH)1)c1ccc(cc1)C(C)C)C(=O)CCC3)C
InChI=1SC23H27N3O2Sc112(2)1481015(11914)181916(65717(19)27)242120(18)22(28)2623(2521)2913(3)4h81318H57H214H3(H224252628)
MFCD05989990
ZINC000006239830
ZINC000006239881
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