Vitas-M small molecule compound
(5E)-5-[(1-butyl-2,3-dihydro-1H-indol-5-yl)methylidene]-1-(3-methylphenyl)-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Catalog ID
STL042033
SMILES CCCCN1CCc2c1ccc(c2)/C=C/1\C(=O)N=C(N(C1=O)c1cccc(c1)C)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 C24H25N3O2S MW 419.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H25N3O2S/c1-3-4-11-26-12-10-18-14-17(8-9-21(18)26)15-20-22(28)25-24(30)27(23(20)29)19-7-5-6-16(2)13-19/h5-9,13-15H,3-4,10-12H2,1-2H3,(H,25,28,30)/b20-15+InChIKey
PCILAYSIDNTHNW-HMMYKYKNSA-NSynonyms
714240-54-7(5E)5((1butyl23dihydro1Hindol5yl)methylidene)1(3methylphenyl)2sulfanylpyrimidine46(1H5H)dione
(5E)5((1BUTYL23DIHYDROINDOL5YL)METHYLIDENE)1(3METHYLPHENYL)2SULFANYLIDENE13DIAZINANE46DIONE
714240547
CCCCN1CCC2=C1C=CC(=C2)C=C3C(=O)NC(=S)N(C3=O)C4=CC=CC(=C4)C
CCCCN1CCc2c1ccc(c2)C=C1C(=O)N=C(N(C1=O)c1cccc(c1)C)S
InChI=1SC24H25N3O2Sc13411261210181417(8921(18)26)152022(28)2524(30)27(23(20)29)1975616(2)1319h591315H341012H212H3(H252830)b2015+
MFCD05729556
ZINC000005100517
ZINC5100517
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