Vitas-M small molecule compound
(2Z)-2-({3-[3-(benzyloxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)[1,3]thiazolo[3,2-a]benzimidazol-3(2H)-one
Catalog ID
STK800833
SMILES O=c1/c(=C/c2cn(nc2c2cccc(c2)OCc2ccccc2)c2ccccc2)/sc2n1c1ccccc1n2
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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 C32H22N4O2S MW 526.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H22N4O2S/c37-31-29(39-32-33-27-16-7-8-17-28(27)36(31)32)19-24-20-35(25-13-5-2-6-14-25)34-30(24)23-12-9-15-26(18-23)38-21-22-10-3-1-4-11-22/h1-20H,21H2/b29-19-InChIKey
AWDCKINWOCRHBB-CEUNXORHSA-NSynonyms
(2Z)2((1PHENYL3(3PHENYLMETHOXYPHENYL)PYRAZOL4YL)METHYLIDENE)(13)THIAZOLO(32A)BENZIMIDAZOL1ONE
(2Z)2((3(3(benzyloxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)(13)thiazolo(32a)benzimidazol3(2H)one
C1=CC=C(C=C1)COC2=CC=CC(=C2)C3=NN(C=C3C=C4C(=O)N5C6=CC=CC=C6N=C5S4)C7=CC=CC=C7
InChI=1SC32H22N4O2Sc373129(3932332716781728(27)36(31)32)19242035(25135261425)3430(24)231291526(1823)382122103141122h120H21H2b2919
MFCD06314369
O=c1c(=Cc2cn(nc2c2cccc(c2)OCc2ccccc2)c2ccccc2)sc2n1c1ccccc1n2
ZINC000097946731
ZINC97946731
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