Vitas-M small molecule compound
5-amino-3-{(Z)-1-cyano-2-[5-(2-methoxy-5-nitrophenyl)furan-2-yl]ethenyl}-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile
Catalog ID
STK758315
SMILES OCCn1nc(c(c1N)C#N)/C(=C/c1ccc(o1)c1cc(ccc1OC)[N+](=O)[O-])/C#N
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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 C20H16N6O5 MW 420.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16N6O5/c1-30-17-4-2-13(26(28)29)9-15(17)18-5-3-14(31-18)8-12(10-21)19-16(11-22)20(23)25(24-19)6-7-27/h2-5,8-9,27H,6-7,23H2,1H3/b12-8+InChIKey
RNZIISKWWKDZJD-XYOKQWHBSA-NSynonyms
5amino3((Z)1cyano2(5(2methoxy5nitrophenyl)furan2yl)ethenyl)1(2hydroxyethyl)1Hpyrazole4carbonitrile
5AMINO3((Z)1CYANO2(5(2METHOXY5NITROPHENYL)FURAN2YL)ETHENYL)1(2HYDROXYETHYL)PYRAZOLE4CARBONITRILE
COC1=C(C=C(C=C1)(N+)(=O)(O))C2=CC=C(O2)C=C(C#N)C3=NN(C(=C3C#N)N)CCO
InChI=1SC20H16N6O5c130174213(26(28)29)915(17)185314(3118)812(1021)1916(1122)20(23)25(2419)6727h258927H6723H21H3b128+
MFCD01066170
OCCn1nc(c(c1N)C#N)C(=Cc1ccc(o1)c1cc(ccc1OC)(N+)(=O)(O))C#N
ZINC000008853515
ZINC08853515
ZINC8853515
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