Vitas-M small molecule compound
6-hydroxy-5-nitro-2-{(E)-2-[3-(thiophen-2-yl)-1H-pyrazol-4-yl]ethenyl}pyrimidin-4(3H)-one
Catalog ID
STL495845
SMILES [O-][N+](=O)c1c(O)nc([nH]c1=O)/C=C/c1c[nH]nc1c1cccs1
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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 C13H9N5O4S MW 331.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H9N5O4S/c19-12-11(18(21)22)13(20)16-9(15-12)4-3-7-6-14-17-10(7)8-2-1-5-23-8/h1-6H,(H,14,17)(H2,15,16,19,20)/b4-3+InChIKey
BDHZMMXAIBJBPD-ONEGZZNKSA-NSynonyms
1006680-61-0(E)6hydroxy5nitro2(2(3(thiophen2yl)1Hpyrazol4yl)vinyl)pyrimidin4(3H)one
(O)(N+)(=O)c1c(O)nc((nH)c1=O)C=Cc1c(nH)nc1c1cccs1
1006680610
4hydroxy5nitro2((E)2(5thiophen2yl1Hpyrazol4yl)ethenyl)1Hpyrimidin6one
5NITRO2((E)2(3(THIOPHEN2YL)1HPYRAZOL4YL)ETHENYL)PYRIMIDINE46DIOL
6hydroxy5nitro2((E)2(3(thiophen2yl)1Hpyrazol4yl)ethenyl)pyrimidin4(3H)one
C1=CSC(=C1)C2=C(C=NN2)C=CC3=NC(=C(C(=O)N3)(N+)(=O)(O))O
InChI=1SC13H9N5O4Sc191211(18(21)22)13(20)169(1512)4376141710(7)8215238h16H(H1417)(H215161920)b43+
MFCD07600987
ZINC000009059513
ZINC9059513
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