Vitas-M small molecule compound

4-amino-5-(4-hydroxyphenyl)-8,8-dimethyl-2-(propylsulfanyl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinolin-6(7H)-one

Catalog ID
STK980867
SMILES CCCSc1nc(N)c2c(n1)NC1=C(C2c2ccc(cc2)O)C(=O)CC(C1)(C)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 C22H26N4O2S MW 410.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26N4O2S/c1-4-9-29-21-25-19(23)18-16(12-5-7-13(27)8-6-12)17-14(24-20(18)26-21)10-22(2,3)11-15(17)28/h5-8,16,27H,4,9-11H2,1-3H3,(H3,23,24,25,26)
InChIKey
AKPQKEKCLIHQRW-UHFFFAOYSA-N
Synonyms

4amino5(4hydroxyphenyl)88dimethyl2(propylsulfanyl)58910tetrahydropyrimido(45b)quinolin6(7H)one
4amino5(4hydroxyphenyl)88dimethyl2propylsulfanyl57910tetrahydropyrimido(45b)quinolin6one
CCCSC1=NC2=C(C(C3=C(N2)CC(CC3=O)(C)C)C4=CC=C(C=C4)O)C(=N1)N
InChI=1SC22H26N4O2Sc14929212519(23)1816(125713(27)8612)1714(2420(18)2621)1022(23)1115(17)28h581627H4911H213H3(H323242526)
MFCD18181229
ZINC000044973508
ZINC000044973512

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Available files

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