Vitas-M small molecule compound
(5Z)-5-({3-[4-(2-methylpropoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-2-(4-propoxyphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK704097
SMILES CCCOc1ccc(cc1)c1nc2n(n1)c(=O)/c(=C/c1cn(nc1c1ccc(cc1)OCC(C)C)c1ccccc1)/s2
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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 C33H31N5O3S MW 577.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H31N5O3S/c1-4-18-40-27-16-12-24(13-17-27)31-34-33-38(36-31)32(39)29(42-33)19-25-20-37(26-8-6-5-7-9-26)35-30(25)23-10-14-28(15-11-23)41-21-22(2)3/h5-17,19-20,22H,4,18,21H2,1-3H3/b29-19-InChIKey
PJDZIDRMODIQLO-CEUNXORHSA-NSynonyms
(5Z)5((3(4(2methylpropoxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)2(4propoxyphenyl)(13)thiazolo(32b)(124)triazol6(5H)one
(5Z)5((3(4(2METHYLPROPOXY)PHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)2(4PROPOXYPHENYL)(13)THIAZOLO(32B)(124)TRIAZOL6ONE
CCCOC1=CC=C(C=C1)C2=NN3C(=O)C(=CC4=CN(N=C4C5=CC=C(C=C5)OCC(C)C)C6=CC=CC=C6)SC3=N2
CCCOc1ccc(cc1)c1nc2n(n1)c(=O)c(=Cc1cn(nc1c1ccc(cc1)OCC(C)C)c1ccccc1)s2
InChI=1SC33H31N5O3Sc14184027161224(131727)31343338(3631)32(39)29(4233)19252037(268657926)3530(25)23101428(151123)412122(2)3h517192022H41821H213H3b2919
MFCD03534539
ZINC000097946605
ZINC97946605
Check stock
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Check stock on Vitas-MAvailable files
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