Vitas-M small molecule compound
(2E)-2-[(4-oxo-1,4,5,6-tetrahydropyrimidin-2-yl)sulfanyl]-3-(pyridin-3-yl)prop-2-enoic acid
Catalog ID
STK708184
SMILES O=C1CCNC(=N1)S/C(=C/c1cccnc1)/C(=O)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 C12H11N3O3S MW 277.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H11N3O3S/c16-10-3-5-14-12(15-10)19-9(11(17)18)6-8-2-1-4-13-7-8/h1-2,4,6-7H,3,5H2,(H,17,18)(H,14,15,16)/b9-6+InChIKey
AKJPUXOANQEBAI-RMKNXTFCSA-NSynonyms
896809-36-2(2E)2((4oxo1456tetrahydropyrimidin2yl)sulfanyl)3(pyridin3yl)prop2enoicacid
(E)2((4oxo1456tetrahydropyrimidin2yl)thio)3(pyridin3yl)acrylicacid
(E)2((6OXO45DIHYDRO1HPYRIMIDIN2YL)SULFANYL)3PYRIDIN3YLPROP2ENOICACID
896809362
C1CN=C(NC1=O)SC(=CC2=CN=CC=C2)C(=O)O
InChI=1SC12H11N3O3Sc1610351412(1510)199(11(17)18)682141378h12467H35H2(H1718)(H141516)b96+
MFCD06596043
O=C1CCNC(=N1)SC(=Cc1cccnc1)C(=O)O
ZINC000002203011
ZINC2203011
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