Vitas-M small molecule compound
(5E)-1-butyl-5-[(1-propyl-1,2,3,4-tetrahydroquinolin-7-yl)methylidene]-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Catalog ID
STK579910
SMILES CCCCN1C(=NC(=O)/C(=C\c2ccc3c(c2)N(CCC)CCC3)/C1=O)S
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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 C21H27N3O2S MW 385.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27N3O2S/c1-3-5-12-24-20(26)17(19(25)22-21(24)27)13-15-8-9-16-7-6-11-23(10-4-2)18(16)14-15/h8-9,13-14H,3-7,10-12H2,1-2H3,(H,22,25,27)/b17-13+InChIKey
IIRYXHQOYWRBCQ-GHRIWEEISA-NSynonyms
(5E)1butyl5((1propyl1234tetrahydroquinolin7yl)methylidene)2sulfanylpyrimidine46(1H5H)dione
(5E)1BUTYL5((1PROPYL34DIHYDRO2HQUINOLIN7YL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
CCCCN1C(=NC(=O)C(=Cc2ccc3c(c2)N(CCC)CCC3)C1=O)S
InChI=1SC21H27N3O2Sc135122420(26)17(19(25)2221(24)27)13158916761123(1042)18(16)1415h891314H371012H212H3(H222527)b1713+
MFCD07210998
ZINC000009015977
ZINC09015977
ZINC9015977
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