Vitas-M small molecule compound
5-ethyl-6-hydroxy-2-[(4-nitrobenzyl)sulfanyl]pyrimidin-4(3H)-one
Catalog ID
STK213713
SMILES CCc1c(O)nc([nH]c1=O)SCc1ccc(cc1)[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 C13H13N3O4S MW 307.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H13N3O4S/c1-2-10-11(17)14-13(15-12(10)18)21-7-8-3-5-9(6-4-8)16(19)20/h3-6H,2,7H2,1H3,(H2,14,15,17,18)InChIKey
ASQKRGAMRDBMAD-UHFFFAOYSA-NSynonyms
878979-66-95ETHYL4HYDROXY2((4NITROPHENYL)METHYLSULFANYL)1HPYRIMIDIN6ONE
5ETHYL6HYDROXY2((4NITROBENZYL)SULFANYL)PYRIMIDIN4(3H)ONE
878979669
CCC1=C(N=C(NC1=O)SCC2=CC=C(C=C2)(N+)(=O)(O))O
CCc1c(O)nc((nH)c1=O)SCc1ccc(cc1)(N+)(=O)(O)
InChI=1SC13H13N3O4Sc121011(17)1413(1512(10)18)2178359(648)16(19)20h36H27H21H3(H214151718)
MFCD07087323
ZINC000010059014
ZINC10059014
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