Vitas-M small molecule compound
5-(4-hydroxy-3-methoxyphenyl)-2-(propylsulfanyl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Catalog ID
STK918666
SMILES CCCSc1nc2NC3=C(C(c2c(=O)[nH]1)c1ccc(c(c1)OC)O)C(=O)CCC3
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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 C21H23N3O4S MW 413.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N3O4S/c1-3-9-29-21-23-19-18(20(27)24-21)16(11-7-8-13(25)15(10-11)28-2)17-12(22-19)5-4-6-14(17)26/h7-8,10,16,25H,3-6,9H2,1-2H3,(H2,22,23,24,27)InChIKey
UCQWIIVDJGKVFV-UHFFFAOYSA-NSynonyms
627046-92-85(4hydroxy3methoxyphenyl)2(propylsulfanyl)58910tetrahydropyrimido(45b)quinoline46(3H7H)dione
5(4hydroxy3methoxyphenyl)2propylsulfanyl1578910hexahydropyrimido(45b)quinoline46dione
627046928
CCCSC1=NC(=O)C2=C(N1)NC3=C(C2C4=CC(=C(C=C4)O)OC)C(=O)CCC3
CCCSc1nc2NC3=C(C(c2c(=O)(nH)1)c1ccc(c(c1)OC)O)C(=O)CCC3
InChI=1SC21H23N3O4Sc1392921231918(20(27)2421)16(117813(25)15(1011)282)1712(2219)54614(17)26h78101625H369H212H3(H222232427)
MFCD04443951
ZINC000005923760
ZINC000005923871
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