Vitas-M small molecule compound
(5E)-5-[(1-butyl-2,3-dihydro-1H-indol-5-yl)methylidene]-1-(3,4-dimethylphenyl)-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Catalog ID
STL051504
SMILES CCCCN1CCc2c1ccc(c2)/C=C/1\C(=O)N=C(N(C1=O)c1ccc(c(c1)C)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 C25H27N3O2S MW 433.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27N3O2S/c1-4-5-11-27-12-10-19-14-18(7-9-22(19)27)15-21-23(29)26-25(31)28(24(21)30)20-8-6-16(2)17(3)13-20/h6-9,13-15H,4-5,10-12H2,1-3H3,(H,26,29,31)/b21-15+InChIKey
QFDZYJOYENYHJO-RCCKNPSSSA-NSynonyms
579440-43-0(5E)5((1butyl23dihydro1Hindol5yl)methylidene)1(34dimethylphenyl)2sulfanylpyrimidine46(1H5H)dione
(5E)5((1BUTYL23DIHYDROINDOL5YL)METHYLIDENE)1(34DIMETHYLPHENYL)2SULFANYLIDENE13DIAZINANE46DIONE
579440430
CCCCN1CCC2=C1C=CC(=C2)C=C3C(=O)NC(=S)N(C3=O)C4=CC(=C(C=C4)C)C
CCCCN1CCc2c1ccc(c2)C=C1C(=O)N=C(N(C1=O)c1ccc(c(c1)C)C)S
InChI=1SC25H27N3O2Sc14511271210191418(7922(19)27)152123(29)2625(31)28(24(21)30)208616(2)17(3)1320h691315H451012H213H3(H262931)b2115+
MFCD05734998
ZINC000017251576
ZINC17251576
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