Vitas-M small molecule compound
(5Z)-5-[(1-benzyl-1H-indol-3-yl)methylidene]-1-methyl-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Catalog ID
STL045214
SMILES CN1C(=NC(=O)/C(=C/c2cn(c3c2cccc3)Cc2ccccc2)/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 C21H17N3O2S MW 375.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17N3O2S/c1-23-20(26)17(19(25)22-21(23)27)11-15-13-24(12-14-7-3-2-4-8-14)18-10-6-5-9-16(15)18/h2-11,13H,12H2,1H3,(H,22,25,27)/b17-11-InChIKey
KVESKEYFFRUBFS-BOPFTXTBSA-NSynonyms
374082-57-2(5Z)5((1benzyl1Hindol3yl)methylidene)1methyl2sulfanylpyrimidine46(1H5H)dione
(5Z)5((1BENZYLINDOL3YL)METHYLIDENE)1METHYL2SULFANYLIDENE13DIAZINANE46DIONE
374082572
CN1C(=NC(=O)C(=Cc2cn(c3c2cccc3)Cc2ccccc2)C1=O)S
CN1C(=O)C(=CC2=CN(C3=CC=CC=C32)CC4=CC=CC=C4)C(=O)NC1=S
InChI=1SC21H17N3O2Sc12320(26)17(19(25)2221(23)27)11151324(12147324814)181065916(15)18h21113H12H21H3(H222527)b1711
MFCD03803151
ZINC000006857050
ZINC06857050
ZINC6857050
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