Vitas-M small molecule compound
(2Z)-2-{[3-(4-butoxy-2-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}[1,3]thiazolo[3,2-a]benzimidazol-3(2H)-one
Catalog ID
STK811488
SMILES CCCCOc1ccc(c(c1)C)c1nn(cc1/C=c/1\sc2n(c1=O)c1c(n2)cccc1)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 C30H26N4O2S MW 506.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H26N4O2S/c1-3-4-16-36-23-14-15-24(20(2)17-23)28-21(19-33(32-28)22-10-6-5-7-11-22)18-27-29(35)34-26-13-9-8-12-25(26)31-30(34)37-27/h5-15,17-19H,3-4,16H2,1-2H3/b27-18-InChIKey
XOIGZFPVAYZQRV-IMRQLAEWSA-NSynonyms
(2Z)2((3(4butoxy2methylphenyl)1phenyl1Hpyrazol4yl)methylidene)(13)thiazolo(32a)benzimidazol3(2H)one
(2Z)2((3(4BUTOXY2METHYLPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)(13)THIAZOLO(32A)BENZIMIDAZOL1ONE
CCCCOC1=CC(=C(C=C1)C2=NN(C=C2C=C3C(=O)N4C5=CC=CC=C5N=C4S3)C6=CC=CC=C6)C
CCCCOc1ccc(c(c1)C)c1nn(cc1C=c1sc2n(c1=O)c1c(n2)cccc1)c1ccccc1
InChI=1SC30H26N4O2Sc134163623141524(20(2)1723)2821(1933(3228)22106571122)182729(35)342613981225(26)3130(34)3727h5151719H3416H212H3b2718
MFCD06264874
ZINC000016713663
ZINC16713663
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