Vitas-M small molecule compound
(5E)-5-({1-[3-bromo-4-(morpholin-4-yl)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}methylidene)-6-hydroxy-2-sulfanylpyrimidin-4(5H)-one
Catalog ID
STK846648
SMILES SC1=NC(=O)/C(=C/c2cc(n(c2C)c2ccc(c(c2)Br)N2CCOCC2)C)/C(=N1)O
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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 C21H21BrN4O3S MW 489.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21BrN4O3S/c1-12-9-14(10-16-19(27)23-21(30)24-20(16)28)13(2)26(12)15-3-4-18(17(22)11-15)25-5-7-29-8-6-25/h3-4,9-11H,5-8H2,1-2H3,(H2,23,24,27,28,30)InChIKey
MWIFJQGFSKQHJB-UHFFFAOYSA-NSynonyms
371213-72-8(5E)5((1(3bromo4(morpholin4yl)phenyl)25dimethyl1Hpyrrol3yl)methylidene)6hydroxy2sulfanylpyrimidin4(5H)one
371213728
5((1(3BROMO4(4MORPHOLINYL)PHENYL)25DIMETHYL1HPYRROL3YL)METHYLENE)2THIOXODIHYDRO46(1H5H)PYRIMIDINEDIONE
5((1(3BROMO4MORPHOLIN4YLPHENYL)25DIMETHYLPYRROL3YL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
CC1=CC(=C(N1C2=CC(=C(C=C2)N3CCOCC3)Br)C)C=C4C(=O)NC(=S)NC4=O
InChI=1SC21H21BrN4O3Sc112914(101619(27)2321(30)2420(16)28)13(2)26(12)153418(17(22)1115)2557298625h34911H58H212H3(H22324272830)
MFCD04072638
SC1=NC(=O)C(=Cc2cc(n(c2C)c2ccc(c(c2)Br)N2CCOCC2)C)C(=N1)O
ZINC000001262461
ZINC1262461
Check stock
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Check stock on Vitas-MAvailable files
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