Vitas-M small molecule compound
6-hydroxy-2-{(Z)-2-[2-methyl-4-(pyrrolidin-1-yl)phenyl]ethenyl}-5-nitropyrimidin-4(3H)-one
Catalog ID
STK255870
SMILES Cc1cc(ccc1/C=C\c1nc(O)c(c(=O)[nH]1)[N+](=O)[O-])N1CCCC1
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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 C17H18N4O4 MW 342.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H18N4O4/c1-11-10-13(20-8-2-3-9-20)6-4-12(11)5-7-14-18-16(22)15(21(24)25)17(23)19-14/h4-7,10H,2-3,8-9H2,1H3,(H2,18,19,22,23)/b7-5-InChIKey
IPLQCVMJPLOMSB-ALCCZGGFSA-NSynonyms
4hydroxy2((Z)2(2methyl4pyrrolidin1ylphenyl)ethenyl)5nitro1Hpyrimidin6one
6hydroxy2((Z)2(2methyl4(pyrrolidin1yl)phenyl)ethenyl)5nitropyrimidin4(3H)one
CC1=C(C=CC(=C1)N2CCCC2)C=CC3=NC(=C(C(=O)N3)(N+)(=O)(O))O
Cc1cc(ccc1C=Cc1nc(O)c(c(=O)(nH)1)(N+)(=O)(O))N1CCCC1
InChI=1SC17H18N4O4c1111013(20823920)6412(11)57141816(22)15(21(24)25)17(23)1914h4710H2389H21H3(H218192223)b75
MFCD08680778
ZINC000009355183
ZINC09355183
ZINC9355183
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