Vitas-M small molecule compound
5-amino-3-[(Z)-1-cyano-2-{3-ethoxy-4-[(4-fluorobenzyl)oxy]phenyl}ethenyl]-1-phenyl-1H-pyrazole-4-carbonitrile
Catalog ID
STK760683
SMILES CCOc1cc(ccc1OCc1ccc(cc1)F)/C=C(/c1nn(c(c1C#N)N)c1ccccc1)\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 C28H22FN5O2 MW 479.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H22FN5O2/c1-2-35-26-15-20(10-13-25(26)36-18-19-8-11-22(29)12-9-19)14-21(16-30)27-24(17-31)28(32)34(33-27)23-6-4-3-5-7-23/h3-15H,2,18,32H2,1H3/b21-14+InChIKey
PAOJEBHNYPGPFH-KGENOOAVSA-NSynonyms
5amino3((Z)1cyano2(3ethoxy4((4fluorobenzyl)oxy)phenyl)ethenyl)1phenyl1Hpyrazole4carbonitrile
5AMINO3((Z)1CYANO2(3ETHOXY4((4FLUOROPHENYL)METHOXY)PHENYL)ETHENYL)1PHENYLPYRAZOLE4CARBONITRILE
CCOC1=C(C=CC(=C1)C=C(C#N)C2=NN(C(=C2C#N)N)C3=CC=CC=C3)OCC4=CC=C(C=C4)F
CCOc1cc(ccc1OCc1ccc(cc1)F)C=C(c1nn(c(c1C#N)N)c1ccccc1)C#N
InChI=1SC28H22FN5O2c1235261520(101325(26)36181981122(29)12919)1421(1630)2724(1731)28(32)34(3327)236435723h315H21832H21H3b2114+
MFCD01819372
ZINC000012411602
ZINC12411602
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