Vitas-M small molecule compound
6-hydroxy-2-[(E)-2-{5-[(4-methylphenyl)sulfanyl]furan-2-yl}ethenyl]-5-nitropyrimidin-4(3H)-one
Catalog ID
STK255875
SMILES Oc1nc(/C=C/c2ccc(o2)Sc2ccc(cc2)C)[nH]c(=O)c1[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 C17H13N3O5S MW 371.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H13N3O5S/c1-10-2-6-12(7-3-10)26-14-9-5-11(25-14)4-8-13-18-16(21)15(20(23)24)17(22)19-13/h2-9H,1H3,(H2,18,19,21,22)/b8-4+InChIKey
DEAAWBFTTHXWIA-XBXARRHUSA-NSynonyms
4hydroxy2((E)2(5(4methylphenyl)sulfanylfuran2yl)ethenyl)5nitro1Hpyrimidin6one
6hydroxy2((E)2(5((4methylphenyl)sulfanyl)furan2yl)ethenyl)5nitropyrimidin4(3H)one
CC1=CC=C(C=C1)SC2=CC=C(O2)C=CC3=NC(=C(C(=O)N3)(N+)(=O)(O))O
InChI=1SC17H13N3O5Sc1102612(7310)26149511(2514)48131816(21)15(20(23)24)17(22)1913h29H1H3(H218192122)b84+
MFCD08680783
Oc1nc(C=Cc2ccc(o2)Sc2ccc(cc2)C)(nH)c(=O)c1(N+)(=O)(O)
ZINC000009295552
ZINC9295552
Check stock
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