Vitas-M small molecule compound

2-(butylsulfanyl)-5-(4-fluorophenyl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione

Catalog ID
STK980679
SMILES CCCCSc1nc2NC3=C(C(c2c(=O)[nH]1)c1ccc(cc1)F)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 C21H22FN3O2S MW 399.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22FN3O2S/c1-2-3-11-28-21-24-19-18(20(27)25-21)16(12-7-9-13(22)10-8-12)17-14(23-19)5-4-6-15(17)26/h7-10,16H,2-6,11H2,1H3,(H2,23,24,25,27)
InChIKey
QCRZGZYXTRIVOK-UHFFFAOYSA-N
Synonyms
628278-35-3
2(butylsulfanyl)5(4fluorophenyl)58910tetrahydropyrimido(45b)quinoline46(3H7H)dione
2butylsulfanyl5(4fluorophenyl)1578910hexahydropyrimido(45b)quinoline46dione
628278353
CCCCSC1=NC(=O)C2=C(N1)NC3=C(C2C4=CC=C(C=C4)F)C(=O)CCC3
CCCCSc1nc2NC3=C(C(c2c(=O)(nH)1)c1ccc(cc1)F)C(=O)CCC3
InChI=1SC21H22FN3O2Sc123112821241918(20(27)2521)16(127913(22)10812)1714(2319)54615(17)26h71016H2611H21H3(H223242527)
MFCD04443977
ZINC000005868754
ZINC000005868837

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Available files

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