Vitas-M small molecule compound
(5Z)-2-(4-butoxyphenyl)-5-{[3-(3-fluoro-4-propoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK904960
SMILES CCCCOc1ccc(cc1)c1nn2c(n1)s/c(=C\c1cn(nc1c1ccc(c(c1)F)OCCC)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 C33H30FN5O3S MW 595.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H30FN5O3S/c1-3-5-18-41-26-14-11-22(12-15-26)31-35-33-39(37-31)32(40)29(43-33)20-24-21-38(25-9-7-6-8-10-25)36-30(24)23-13-16-28(27(34)19-23)42-17-4-2/h6-16,19-21H,3-5,17-18H2,1-2H3/b29-20-InChIKey
MWMLGIDOANQFEZ-BRPDVVIDSA-NSynonyms
(5Z)2(4butoxyphenyl)5((3(3fluoro4propoxyphenyl)1phenyl1Hpyrazol4yl)methylidene)(13)thiazolo(32b)(124)triazol6(5H)one
(5Z)2(4BUTOXYPHENYL)5((3(3FLUORO4PROPOXYPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)(13)THIAZOLO(32B)(124)TRIAZOL6ONE
CCCCOC1=CC=C(C=C1)C2=NN3C(=O)C(=CC4=CN(N=C4C5=CC(=C(C=C5)OCCC)F)C6=CC=CC=C6)SC3=N2
CCCCOc1ccc(cc1)c1nn2c(n1)sc(=Cc1cn(nc1c1ccc(c(c1)F)OCCC)c1ccccc1)c2=O
InChI=1SC33H30FN5O3Sc135184126141122(121526)31353339(3731)32(40)29(4333)20242138(2597681025)3630(24)23131628(27(34)1923)421742h6161921H351718H212H3b2920
MFCD03534694
ZINC000097947366
ZINC97947366
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