Vitas-M small molecule compound
6-hydroxy-2-{(E)-2-[3-(4-methoxyphenyl)-1H-pyrazol-4-yl]ethenyl}-5-nitropyrimidin-4(3H)-one
Catalog ID
STK743969
SMILES COc1ccc(cc1)c1n[nH]cc1/C=C/c1nc(O)c(c(=O)[nH]1)[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 C16H13N5O5 MW 355.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13N5O5/c1-26-11-5-2-9(3-6-11)13-10(8-17-20-13)4-7-12-18-15(22)14(21(24)25)16(23)19-12/h2-8H,1H3,(H,17,20)(H2,18,19,22,23)/b7-4+InChIKey
CEIVTHFFFBNUOC-QPJJXVBHSA-NSynonyms
4HYDROXY2((E)2(5(4METHOXYPHENYL)1HPYRAZOL4YL)ETHENYL)5NITRO1HPYRIMIDIN6ONE
6hydroxy2((E)2(3(4methoxyphenyl)1Hpyrazol4yl)ethenyl)5nitropyrimidin4(3H)one
COC1=CC=C(C=C1)C2=C(C=NN2)C=CC3=NC(=C(C(=O)N3)(N+)(=O)(O))O
COc1ccc(cc1)c1n(nH)cc1C=Cc1nc(O)c(c(=O)(nH)1)(N+)(=O)(O)
InChI=1SC16H13N5O5c12611529(3611)1310(8172013)47121815(22)14(21(24)25)16(23)1912h28H1H3(H1720)(H218192223)b74+
MFCD06017318
ZINC000012370957
ZINC12370957
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