Vitas-M small molecule compound
5-amino-3-{(Z)-1-cyano-2-[3-iodo-5-methoxy-4-(prop-2-yn-1-yloxy)phenyl]ethenyl}-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile
Catalog ID
STK374580
SMILES C#CCOc1c(I)cc(cc1OC)/C=C(/c1nn(c(c1C#N)N)CCO)\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 C19H16IN5O3 MW 489.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H16IN5O3/c1-3-6-28-18-15(20)8-12(9-16(18)27-2)7-13(10-21)17-14(11-22)19(23)25(24-17)4-5-26/h1,7-9,26H,4-6,23H2,2H3/b13-7+InChIKey
KOKDSKNFAMGTOT-NTUHNPAUSA-NSynonyms
3((1Z)1CYANO2(3IODO5METHOXY4PROP2YNYLOXYPHENYL)VINYL)5AMINO1(2HYDROXYETHYL)PYRAZOLE4CARBONITRILE
5amino3((Z)1cyano2(3iodo5methoxy4(prop2yn1yloxy)phenyl)ethenyl)1(2hydroxyethyl)1Hpyrazole4carbonitrile
5AMINO3((Z)1CYANO2(3IODO5METHOXY4PROP2YNOXYPHENYL)ETHENYL)1(2HYDROXYETHYL)PYRAZOLE4CARBONITRILE
5AMINO3(1CYANO2(3IODO5METHOXY4(2PROPYNYLOXY)PHENYL)VINYL)1(2HYDROXYETHYL)1HPYRAZOLE4CARBONITRILE
C#CCOc1c(I)cc(cc1OC)C=C(c1nn(c(c1C#N)N)CCO)C#N
COC1=C(C(=CC(=C1)C=C(C#N)C2=NN(C(=C2C#N)N)CCO)I)OCC#C
InChI=1SC19H16IN5O3c136281815(20)812(916(18)272)713(1021)1714(1122)19(23)25(2417)4526h17926H4623H22H3b137+
MFCD01029754
ZINC000004118873
ZINC04118873
ZINC4118873
Check stock
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Check stock on Vitas-MAvailable files
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