Vitas-M small molecule compound
(5E)-1-(2-fluorophenyl)-5-({[2-(piperazin-1-yl)ethyl]amino}methylidene)-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Catalog ID
STK561257
SMILES O=C1N=C(S)N(C(=O)/C/1=C/NCCN1CCNCC1)c1ccccc1F
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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 C17H20FN5O2S MW 377.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H20FN5O2S/c18-13-3-1-2-4-14(13)23-16(25)12(15(24)21-17(23)26)11-20-7-10-22-8-5-19-6-9-22/h1-4,11,19-20H,5-10H2,(H,21,24,26)/b12-11+InChIKey
GQYUIXPJLUYVRG-VAWYXSNFSA-NSynonyms
(5E)1(2fluorophenyl)5(((2(piperazin1yl)ethyl)amino)methylidene)2sulfanylpyrimidine46(1H5H)dione
(5E)1(2FLUOROPHENYL)5((2PIPERAZIN1YLETHYLAMINO)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
C1CN(CCN1)CCNC=C2C(=O)NC(=S)N(C2=O)C3=CC=CC=C3F
InChI=1SC17H20FN5O2Sc1813312414(13)2316(25)12(15(24)2117(23)26)11207102285196922h14111920H510H2(H212426)b1211+
MFCD03799118
O=C1N=C(S)N(C(=O)C1=CNCCN1CCNCC1)c1ccccc1F
ZINC000019362780
ZINC000102502555
ZINC19362780
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