Vitas-M small molecule compound
(5Z)-6-hydroxy-4-oxo-5-({[2-(pyridin-3-yl)piperidinium-1-yl]amino}methylidene)-4,5-dihydropyrimidine-2-thiolate
Catalog ID
STL528336
SMILES [S-]C1=NC(=O)/C(=C\N[NH+]2CCCCC2c2cccnc2)/C(=N1)O
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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 C15H17N5O2S MW 331.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H17N5O2S/c21-13-11(14(22)19-15(23)18-13)9-17-20-7-2-1-5-12(20)10-4-3-6-16-8-10/h3-4,6,8-9,12,17H,1-2,5,7H2,(H2,18,19,21,22,23)InChIKey
MPNFDVMQSWTRSX-UHFFFAOYSA-NSynonyms
(5Z)6hydroxy4oxo5(((2(pyridin3yl)piperidinium1yl)amino)methylidene)45dihydropyrimidine2thiolate
InChI=1SC15H17N5O2Sc211311(14(22)1915(23)1813)91720721512(20)1043616810h346891217H1257H2(H21819212223)
MFCD31753850
ZINC000000487562
ZINC000017196502
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