Vitas-M small molecule compound

5-amino-3-{(E)-1-cyano-2-[3-(4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]ethenyl}-1-phenyl-1H-pyrazole-4-carbonitrile

Catalog ID
STL018961
SMILES N#C/C(=C/c1cn(nc1c1ccc(cc1)OC)c1ccccc1)/c1nn(c(c1C#N)N)c1ccccc1

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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 C29H21N7O MW 483.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H21N7O/c1-37-25-14-12-20(13-15-25)27-22(19-35(33-27)23-8-4-2-5-9-23)16-21(17-30)28-26(18-31)29(32)36(34-28)24-10-6-3-7-11-24/h2-16,19H,32H2,1H3/b21-16-
InChIKey
BQDXLHLOMMESIU-PGMHBOJBSA-N
Synonyms

(Z)5amino3(1cyano2(3(4methoxyphenyl)1phenyl1Hpyrazol4yl)vinyl)1phenyl1Hpyrazole4carbonitrile
5amino3((E)1cyano2(3(4methoxyphenyl)1phenyl1Hpyrazol4yl)ethenyl)1phenyl1Hpyrazole4carbonitrile
5AMINO3((E)1CYANO2(3(4METHOXYPHENYL)1PHENYLPYRAZOL4YL)ETHENYL)1PHENYLPYRAZOLE4CARBONITRILE
COC1=CC=C(C=C1)C2=NN(C=C2C=C(C#N)C3=NN(C(=C3C#N)N)C4=CC=CC=C4)C5=CC=CC=C5
InChI=1SC29H21N7Oc13725141220(131525)2722(1935(3327)238425923)1621(1730)2826(1831)29(32)36(3428)24106371124h21619H32H21H3b2116
MFCD05993110
N#CC(=Cc1cn(nc1c1ccc(cc1)OC)c1ccccc1)c1nn(c(c1C#N)N)c1ccccc1
ZINC000016361806
ZINC16361806

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Available files

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