Vitas-M small molecule compound
5-amino-3-{(Z)-2-[4-(benzyloxy)-3-bromo-5-methoxyphenyl]-1-cyanoethenyl}-1-phenyl-1H-pyrazole-4-carbonitrile
Catalog ID
STK673631
SMILES COc1cc(cc(c1OCc1ccccc1)Br)/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 C27H20BrN5O2 MW 526.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H20BrN5O2/c1-34-24-14-19(13-23(28)26(24)35-17-18-8-4-2-5-9-18)12-20(15-29)25-22(16-30)27(31)33(32-25)21-10-6-3-7-11-21/h2-14H,17,31H2,1H3/b20-12+InChIKey
XIXSMCJVHMKJIF-UDWIEESQSA-NSynonyms
5AMINO3((Z)2(3BROMO5METHOXY4PHENYLMETHOXYPHENYL)1CYANOETHENYL)1PHENYLPYRAZOLE4CARBONITRILE
5amino3((Z)2(4(benzyloxy)3bromo5methoxyphenyl)1cyanoethenyl)1phenyl1Hpyrazole4carbonitrile
5AMINO3(2(4(BENZYLOXY)3BROMO5METHOXYPHENYL)1CYANOVINYL)1PHENYL1HPYRAZOLE4CARBONITRILE
COC1=C(C(=CC(=C1)C=C(C#N)C2=NN(C(=C2C#N)N)C3=CC=CC=C3)Br)OCC4=CC=CC=C4
COc1cc(cc(c1OCc1ccccc1)Br)C=C(c1nn(c(c1C#N)N)c1ccccc1)C#N
InChI=1SC27H20BrN5O2c134241419(1323(28)26(24)3517188425918)1220(1529)2522(1630)27(31)33(3225)21106371121h214H1731H21H3b2012+
MFCD01029910
ZINC000100060082
ZINC100060082
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