Vitas-M small molecule compound
{4-bromo-2-[(Z)-2-(4-hydroxy-5-nitro-6-oxo-1,6-dihydropyrimidin-2-yl)ethenyl]phenoxy}acetic acid
Catalog ID
STL358774
SMILES OC(=O)COc1ccc(cc1/C=C\c1nc(O)c(c(=O)[nH]1)[N+](=O)[O-])Br
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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 C14H10BrN3O7 MW 412.15 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H10BrN3O7/c15-8-2-3-9(25-6-11(19)20)7(5-8)1-4-10-16-13(21)12(18(23)24)14(22)17-10/h1-5H,6H2,(H,19,20)(H2,16,17,21,22)/b4-1-InChIKey
OAXNZKDPBZMNPR-RJRFIUFISA-NSynonyms
(4bromo2((Z)2(4hydroxy5nitro6oxo16dihydropyrimidin2yl)ethenyl)phenoxy)aceticacid
2(4BROMO2((Z)2(4HYDROXY5NITRO6OXO1HPYRIMIDIN2YL)ETHENYL)PHENOXY)ACETICACID
C1=CC(=C(C=C1Br)C=CC2=NC(=C(C(=O)N2)(N+)(=O)(O))O)OCC(=O)O
InChI=1SC14H10BrN3O7c158239(25611(19)20)7(58)14101613(21)12(18(23)24)14(22)1710h15H6H2(H1920)(H216172122)b41
MFCD05992851
OC(=O)COc1ccc(cc1C=Cc1nc(O)c(c(=O)(nH)1)(N+)(=O)(O))Br
ZINC000016361685
ZINC16361685
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