Vitas-M small molecule compound
6-hydroxy-2-{(E)-2-[3-methoxy-4-(propan-2-yloxy)phenyl]ethenyl}-5-nitropyrimidin-4(3H)-one
Catalog ID
STL358716
SMILES COc1cc(/C=C/c2nc(O)c(c(=O)[nH]2)[N+](=O)[O-])ccc1OC(C)C
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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 C16H17N3O6 MW 347.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17N3O6/c1-9(2)25-11-6-4-10(8-12(11)24-3)5-7-13-17-15(20)14(19(22)23)16(21)18-13/h4-9H,1-3H3,(H2,17,18,20,21)/b7-5+InChIKey
FQGLFVPSSDJGME-FNORWQNLSA-NSynonyms
2((1E)2(3METHOXY4(METHYLETHOXY)PHENYL)VINYL)6HYDROXY5NITRO3HYDROPYRIMIDIN4ONE
4HYDROXY2((E)2(3METHOXY4PROPAN2YLOXYPHENYL)ETHENYL)5NITRO1HPYRIMIDIN6ONE
6hydroxy2((E)2(3methoxy4(propan2yloxy)phenyl)ethenyl)5nitropyrimidin4(3H)one
CC(C)OC1=C(C=C(C=C1)C=CC2=NC(=C(C(=O)N2)(N+)(=O)(O))O)OC
COc1cc(C=Cc2nc(O)c(c(=O)(nH)2)(N+)(=O)(O))ccc1OC(C)C
InChI=1SC16H17N3O6c19(2)25116410(812(11)243)57131715(20)14(19(22)23)16(21)1813h49H13H3(H217182021)b75+
MFCD05668329
ZINC000009010314
ZINC9010314
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