Vitas-M small molecule compound
5-amino-3-{(Z)-1-cyano-2-[4-(4-methylpiperazin-1-yl)-3-nitrophenyl]ethenyl}-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile
Catalog ID
STK675427
SMILES OCCn1nc(c(c1N)C#N)/C(=C/c1ccc(c(c1)[N+](=O)[O-])N1CCN(CC1)C)/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 C20H22N8O3 MW 422.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N8O3/c1-25-4-6-26(7-5-25)17-3-2-14(11-18(17)28(30)31)10-15(12-21)19-16(13-22)20(23)27(24-19)8-9-29/h2-3,10-11,29H,4-9,23H2,1H3/b15-10+InChIKey
LKKNTDMBCAQAPQ-XNTDXEJSSA-NSynonyms
5AMINO3((1Z)1CYANO2(4(4METHYLPIPERAZIN1YL)3NITROPHENYL)ETH1EN1YL)1(2HYDROXYETHYL)1HPYRAZOLE4CARBONITRILE
5amino3((Z)1cyano2(4(4methylpiperazin1yl)3nitrophenyl)ethenyl)1(2hydroxyethyl)1Hpyrazole4carbonitrile
5AMINO3((Z)1CYANO2(4(4METHYLPIPERAZIN1YL)3NITROPHENYL)ETHENYL)1(2HYDROXYETHYL)PYRAZOLE4CARBONITRILE
CN1CCN(CC1)C2=C(C=C(C=C2)C=C(C#N)C3=NN(C(=C3C#N)N)CCO)(N+)(=O)(O)
InChI=1SC20H22N8O3c1254626(7525)173214(1118(17)28(30)31)1015(1221)1916(1322)20(23)27(2419)8929h23101129H4923H21H3b1510+
MFCD01066128
OCCn1nc(c(c1N)C#N)C(=Cc1ccc(c(c1)(N+)(=O)(O))N1CCN(CC1)C)C#N
ZINC000008854541
ZINC8854541
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