Vitas-M small molecule compound
5-amino-3-{(Z)-2-[2-(benzyloxy)-5-bromophenyl]-1-cyanoethenyl}-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile
Catalog ID
STK758208
SMILES OCCn1nc(c(c1N)C#N)/C(=C/c1cc(Br)ccc1OCc1ccccc1)/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 C22H18BrN5O2 MW 464.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18BrN5O2/c23-18-6-7-20(30-14-15-4-2-1-3-5-15)16(11-18)10-17(12-24)21-19(13-25)22(26)28(27-21)8-9-29/h1-7,10-11,29H,8-9,14,26H2/b17-10+InChIKey
OHQZGUJSIYYOSQ-LICLKQGHSA-NSynonyms
5amino3((Z)2(2(benzyloxy)5bromophenyl)1cyanoethenyl)1(2hydroxyethyl)1Hpyrazole4carbonitrile
5AMINO3((Z)2(5BROMO2PHENYLMETHOXYPHENYL)1CYANOETHENYL)1(2HYDROXYETHYL)PYRAZOLE4CARBONITRILE
C1=CC=C(C=C1)COC2=C(C=C(C=C2)Br)C=C(C#N)C3=NN(C(=C3C#N)N)CCO
InChI=1SC22H18BrN5O2c23186720(3014154213515)16(1118)1017(1224)2119(1325)22(26)28(2721)8929h17101129H891426H2b1710+
MFCD01029527
OCCn1nc(c(c1N)C#N)C(=Cc1cc(Br)ccc1OCc1ccccc1)C#N
ZINC000012376543
ZINC12376543
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