Vitas-M small molecule compound
(5E)-1-(4-fluorobenzyl)-4,6-dioxo-5-({[2-(piperidinium-1-yl)ethyl]amino}methylidene)-1,4,5,6-tetrahydropyrimidine-2-thiolate
Catalog ID
STL052326
SMILES Fc1ccc(cc1)CN1C(=NC(=O)/C(=C\NCC[NH+]2CCCCC2)/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 C19H23FN4O2S MW 390.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H23FN4O2S/c20-15-6-4-14(5-7-15)13-24-18(26)16(17(25)22-19(24)27)12-21-8-11-23-9-2-1-3-10-23/h4-7,12,21H,1-3,8-11,13H2,(H,22,25,27)/b16-12+InChIKey
HTPZYPUTWSJZFZ-FOWTUZBSSA-NSynonyms
(5E)1((4FLUOROPHENYL)METHYL)5((2PIPERIDIN1YLETHYLAMINO)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
(5E)1(4fluorobenzyl)46dioxo5(((2(piperidinium1yl)ethyl)amino)methylidene)1456tetrahydropyrimidine2thiolate
C1CCN(CC1)CCNC=C2C(=O)NC(=S)N(C2=O)CC3=CC=C(C=C3)F
Fc1ccc(cc1)CN1C(=NC(=O)C(=CNCC(NH+)2CCCCC2)C1=O)(S)
InChI=1SC19H23FN4O2Sc20156414(5715)132418(26)16(17(25)2219(24)27)12218112392131023h471221H1381113H2(H222527)b1612+
MFCD18249457
ZINC000020325062
ZINC000103121231
ZINC20325062
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