Vitas-M small molecule compound
(5Z)-2-(4-butoxyphenyl)-5-{[3-(4-methoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK904962
SMILES CCCCOc1ccc(cc1)c1nn2c(n1)s/c(=C\c1cn(nc1c1ccc(c(c1)[N+](=O)[O-])OC)c1ccccc1)/c2=O
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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 C31H26N6O5S MW 594.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H26N6O5S/c1-3-4-16-42-24-13-10-20(11-14-24)29-32-31-36(34-29)30(38)27(43-31)18-22-19-35(23-8-6-5-7-9-23)33-28(22)21-12-15-26(41-2)25(17-21)37(39)40/h5-15,17-19H,3-4,16H2,1-2H3/b27-18-InChIKey
WOZZDHDVFKLPTL-IMRQLAEWSA-NSynonyms
(5Z)2(4butoxyphenyl)5((3(4methoxy3nitrophenyl)1phenyl1Hpyrazol4yl)methylidene)(13)thiazolo(32b)(124)triazol6(5H)one
(5Z)2(4BUTOXYPHENYL)5((3(4METHOXY3NITROPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)(13)THIAZOLO(32B)(124)TRIAZOL6ONE
CCCCOC1=CC=C(C=C1)C2=NN3C(=O)C(=CC4=CN(N=C4C5=CC(=C(C=C5)OC)(N+)(=O)(O))C6=CC=CC=C6)SC3=N2
CCCCOc1ccc(cc1)c1nn2c(n1)sc(=Cc1cn(nc1c1ccc(c(c1)(N+)(=O)(O))OC)c1ccccc1)c2=O
InChI=1SC31H26N6O5Sc134164224131020(111424)29323136(3429)30(38)27(4331)18221935(238657923)3328(22)21121526(412)25(1721)37(39)40h5151719H3416H212H3b2718
MFCD03534405
ZINC000100847555
ZINC100847555
Check stock
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Check stock on Vitas-MAvailable files
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