Vitas-M small molecule compound
(5E)-1-(4-fluorobenzyl)-5-({[2-(morpholin-4-ium-4-yl)ethyl]amino}methylidene)-4,6-dioxo-1,4,5,6-tetrahydropyrimidine-2-thiolate
Catalog ID
STL052473
SMILES Fc1ccc(cc1)CN1C(=NC(=O)/C(=C\NCC[NH+]2CCOCC2)/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 C18H21FN4O3S MW 392.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H21FN4O3S/c19-14-3-1-13(2-4-14)12-23-17(25)15(16(24)21-18(23)27)11-20-5-6-22-7-9-26-10-8-22/h1-4,11,20H,5-10,12H2,(H,21,24,27)/b15-11+InChIKey
OLKDDINOJRORKB-RVDMUPIBSA-NSynonyms
(5E)1((4FLUOROPHENYL)METHYL)5((2MORPHOLIN4YLETHYLAMINO)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
(5E)1(4fluorobenzyl)5(((2(morpholin4ium4yl)ethyl)amino)methylidene)46dioxo1456tetrahydropyrimidine2thiolate
C1COCCN1CCNC=C2C(=O)NC(=S)N(C2=O)CC3=CC=C(C=C3)F
Fc1ccc(cc1)CN1C(=NC(=O)C(=CNCC(NH+)2CCOCC2)C1=O)(S)
InChI=1SC18H21FN4O3Sc19143113(2414)122317(25)15(16(24)2118(23)27)11205622792610822h141120H51012H2(H212427)b1511+
MFCD18249467
ZINC000020357429
ZINC000103121521
ZINC20357429
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