Vitas-M small molecule compound
(5Z)-2-(azepan-1-yl)-5-{[3-(4-ethoxy-2-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-1,3-thiazol-4(5H)-one
Catalog ID
STK810212
SMILES CCOc1ccc(c(c1)C)c1nn(cc1/C=C/1\SC(=NC1=O)N1CCCCCC1)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 C28H30N4O2S MW 486.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30N4O2S/c1-3-34-23-13-14-24(20(2)17-23)26-21(19-32(30-26)22-11-7-6-8-12-22)18-25-27(33)29-28(35-25)31-15-9-4-5-10-16-31/h6-8,11-14,17-19H,3-5,9-10,15-16H2,1-2H3/b25-18-InChIKey
FUACAQRVBYFCQI-BWAHOGKJSA-NSynonyms
(5Z)2(azepan1yl)5((3(4ethoxy2methylphenyl)1phenyl1Hpyrazol4yl)methylidene)13thiazol4(5H)one
(5Z)2(AZEPAN1YL)5((3(4ETHOXY2METHYLPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)13THIAZOL4ONE
CCOC1=CC(=C(C=C1)C2=NN(C=C2C=C3C(=O)N=C(S3)N4CCCCCC4)C5=CC=CC=C5)C
CCOc1ccc(c(c1)C)c1nn(cc1C=C1SC(=NC1=O)N1CCCCCC1)c1ccccc1
InChI=1SC28H30N4O2Sc133423131424(20(2)1723)2621(1932(3026)22117681222)182527(33)2928(3525)3115945101631h6811141719H359101516H212H3b2518
MFCD03462490
ZINC000012621491
ZINC12621491
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