Vitas-M small molecule compound
5-amino-3-{(Z)-1-cyano-2-[3-nitro-4-(piperidin-1-yl)phenyl]ethenyl}-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile
Catalog ID
STK756464
SMILES OCCn1nc(c(c1N)C#N)/C(=C/c1ccc(c(c1)[N+](=O)[O-])N1CCCCC1)/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 C20H21N7O3 MW 407.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21N7O3/c21-12-15(19-16(13-22)20(23)26(24-19)8-9-28)10-14-4-5-17(18(11-14)27(29)30)25-6-2-1-3-7-25/h4-5,10-11,28H,1-3,6-9,23H2/b15-10+InChIKey
WFDMPXMHYZWBAE-XNTDXEJSSA-NSynonyms
5amino3((Z)1cyano2(3nitro4(piperidin1yl)phenyl)ethenyl)1(2hydroxyethyl)1Hpyrazole4carbonitrile
5AMINO3((Z)1CYANO2(3NITRO4PIPERIDIN1YLPHENYL)ETHENYL)1(2HYDROXYETHYL)PYRAZOLE4CARBONITRILE
C1CCN(CC1)C2=C(C=C(C=C2)C=C(C#N)C3=NN(C(=C3C#N)N)CCO)(N+)(=O)(O)
InChI=1SC20H21N7O3c211215(1916(1322)20(23)26(2419)8928)10144517(18(1114)27(29)30)256213725h45101128H136923H2b1510+
MFCD01029802
OCCn1nc(c(c1N)C#N)C(=Cc1ccc(c(c1)(N+)(=O)(O))N1CCCCC1)C#N
ZINC000004455861
ZINC04455861
ZINC4455861
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