Vitas-M small molecule compound
(5E)-5-({[3-(dimethylamino)propyl]amino}methylidene)-1-(4-fluorobenzyl)-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Catalog ID
STK560342
SMILES CN(CCCN/C=C/1\C(=O)N=C(N(C1=O)Cc1ccc(cc1)F)S)C
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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 C17H21FN4O2S MW 364.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H21FN4O2S/c1-21(2)9-3-8-19-10-14-15(23)20-17(25)22(16(14)24)11-12-4-6-13(18)7-5-12/h4-7,10,19H,3,8-9,11H2,1-2H3,(H,20,23,25)/b14-10+InChIKey
VCEAOVFAGZGPRG-GXDHUFHOSA-NSynonyms
(5E)5(((3(dimethylamino)propyl)amino)methylidene)1(4fluorobenzyl)2sulfanylpyrimidine46(1H5H)dione
(5E)5((3(DIMETHYLAMINO)PROPYLAMINO)METHYLIDENE)1((4FLUOROPHENYL)METHYL)2SULFANYLIDENE13DIAZINANE46DIONE
CN(C)CCCNC=C1C(=O)NC(=S)N(C1=O)CC2=CC=C(C=C2)F
CN(CCCNC=C1C(=O)N=C(N(C1=O)Cc1ccc(cc1)F)S)C
InChI=1SC17H21FN4O2Sc121(2)93819101415(23)2017(25)22(16(14)24)11124613(18)7512h471019H38911H212H3(H202325)b1410+
MFCD04080352
ZINC000002595214
ZINC2595214
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