Vitas-M small molecule compound
2-{[(5-nitro-1H-benzimidazol-2-yl)methyl]sulfanyl}-6-propylpyrimidin-4(3H)-one
Catalog ID
STK071065
SMILES CCCc1cc(=O)[nH]c(n1)SCc1nc2c([nH]1)ccc(c2)[N+](=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 C15H15N5O3S MW 345.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H15N5O3S/c1-2-3-9-6-14(21)19-15(16-9)24-8-13-17-11-5-4-10(20(22)23)7-12(11)18-13/h4-7H,2-3,8H2,1H3,(H,17,18)(H,16,19,21)InChIKey
UCUSKZJEPGFMAZ-UHFFFAOYSA-NSynonyms
2(((5NITRO1HBENZIMIDAZOL2YL)METHYL)SULFANYL)6PROPYLPYRIMIDIN4(3H)ONE
2(((6NITRO1HBENZIMIDAZOL2YL)METHYL)THIO)6PROPYL4(1H)PYRIMIDINONE
2((6NITRO1HBENZIMIDAZOL2YL)METHYLSULFANYL)6PROPYL1HPYRIMIDIN4ONE
CCCC1=CC(=O)N=C(N1)SCC2=NC3=C(N2)C=C(C=C3)(N+)(=O)(O)
CCCc1cc(=O)(nH)c(n1)SCc1nc2c((nH)1)ccc(c2)(N+)(=O)(O)
InChI=1SC15H15N5O3Sc1239614(21)1915(169)2481317115410(20(22)23)712(11)1813h47H238H21H3(H1718)(H161921)
MFCD02198066
STK071065
ZINC000009635686
ZINC9635686
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