Vitas-M small molecule compound
2-(butan-2-ylsulfanyl)-5-(3,4-dichlorophenyl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Catalog ID
STK918707
SMILES CCC(Sc1nc2NC3=C(C(c2c(=O)[nH]1)c1ccc(c(c1)Cl)Cl)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 C21H21Cl2N3O2S MW 450.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21Cl2N3O2S/c1-3-10(2)29-21-25-19-18(20(28)26-21)16(11-7-8-12(22)13(23)9-11)17-14(24-19)5-4-6-15(17)27/h7-10,16H,3-6H2,1-2H3,(H2,24,25,26,28)InChIKey
TWADIPCFLQEPMY-UHFFFAOYSA-NSynonyms
2(butan2ylsulfanyl)5(34dichlorophenyl)58910tetrahydropyrimido(45b)quinoline46(3H7H)dione
2butan2ylsulfanyl5(34dichlorophenyl)1578910hexahydropyrimido(45b)quinoline46dione
CCC(C)SC1=NC(=O)C2=C(N1)NC3=C(C2C4=CC(=C(C=C4)Cl)Cl)C(=O)CCC3
CCC(Sc1nc2NC3=C(C(c2c(=O)(nH)1)c1ccc(c(c1)Cl)Cl)C(=O)CCC3)C
InChI=1SC21H21Cl2N3O2Sc1310(2)2921251918(20(28)2621)16(117812(22)13(23)911)1714(2419)54615(17)27h71016H36H212H3(H224252628)
MFCD05989160
ZINC000001118346
ZINC000001118351
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