Vitas-M small molecule compound
5,5'-({3-[(4-nitrobenzyl)oxy]phenyl}methanediyl)bis(6-hydroxy-2-thioxo-2,3-dihydropyrimidin-4(1H)-one)
Catalog ID
STL418654
SMILES [O-][N+](=O)c1ccc(cc1)COc1cccc(c1)C(c1c(O)[nH]c(=S)[nH]c1=O)c1c(O)[nH]c(=S)[nH]c1=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 C22H17N5O7S2 MW 527.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17N5O7S2/c28-17-15(18(29)24-21(35)23-17)14(16-19(30)25-22(36)26-20(16)31)11-2-1-3-13(8-11)34-9-10-4-6-12(7-5-10)27(32)33/h1-8,14H,9H2,(H3,23,24,28,29,35)(H3,25,26,30,31,36)InChIKey
KGCRYXAIZMSUIP-UHFFFAOYSA-NSynonyms
(O)(N+)(=O)c1ccc(cc1)COc1cccc(c1)C(c1c(O)(nH)c(=S)(nH)c1=O)c1c(O)(nH)c(=S)(nH)c1=O
55((3((4nitrobenzyl)oxy)phenyl)methanediyl)bis(6hydroxy2thioxo23dihydropyrimidin4(1H)one)
6HYDROXY5((6HYDROXY4OXO2SULFANYLIDENE1HPYRIMIDIN5YL)(3((4NITROPHENYL)METHOXY)PHENYL)METHYL)2SULFANYLIDENE1HPYRIMIDIN4ONE
C1=CC(=CC(=C1)OCC2=CC=C(C=C2)(N+)(=O)(O))C(C3=C(NC(=S)NC3=O)O)C4=C(NC(=S)NC4=O)O
InChI=1SC22H17N5O7S2c281715(18(29)2421(35)2317)14(1619(30)2522(36)2620(16)31)1121313(811)349104612(7510)27(32)33h1814H9H2(H32324282935)(H32526303136)
MFCD02614955
ZINC000033353257
ZINC33353257
Check stock
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