Vitas-M small molecule compound
(5E)-5-({[3-(1H-imidazol-1-yl)propyl]amino}methylidene)-1-methyl-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Catalog ID
STL150314
SMILES CN1C(=NC(=O)/C(=C\NCCCn2ccnc2)/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 C12H15N5O2S MW 293.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H15N5O2S/c1-16-11(19)9(10(18)15-12(16)20)7-13-3-2-5-17-6-4-14-8-17/h4,6-8,13H,2-3,5H2,1H3,(H,15,18,20)/b9-7+InChIKey
IEJFCVSSRHOPGQ-VQHVLOKHSA-NSynonyms
(5E)5(((3(1Himidazol1yl)propyl)amino)methylidene)1methyl2sulfanylpyrimidine46(1H5H)dione
(5E)5((3IMIDAZOL1YLPROPYLAMINO)METHYLIDENE)1METHYL2SULFANYLIDENE13DIAZINANE46DIONE
CN1C(=NC(=O)C(=CNCCCn2ccnc2)C1=O)S
CN1C(=O)C(=CNCCCN2C=CN=C2)C(=O)NC1=S
InChI=1SC12H15N5O2Sc11611(19)9(10(18)1512(16)20)713325176414817h46813H235H21H3(H151820)b97+
MFCD03813358
ZINC000006420955
ZINC000103227581
ZINC06420955
ZINC6420955
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