Vitas-M small molecule compound
(5Z)-5-{[1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]methylidene}-2-(4-propoxyphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK816595
SMILES CCCOc1ccc(cc1)c1nn2c(n1)s/c(=C\c1cn(nc1c1cccs1)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 C27H21N5O2S2 MW 511.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H21N5O2S2/c1-2-14-34-21-12-10-18(11-13-21)25-28-27-32(30-25)26(33)23(36-27)16-19-17-31(20-7-4-3-5-8-20)29-24(19)22-9-6-15-35-22/h3-13,15-17H,2,14H2,1H3/b23-16-InChIKey
CSIZBHNWPGUTPS-KQWNVCNZSA-NSynonyms
(5Z)5((1phenyl3(thiophen2yl)1Hpyrazol4yl)methylidene)2(4propoxyphenyl)(13)thiazolo(32b)(124)triazol6(5H)one
(5Z)5((1PHENYL3THIOPHEN2YLPYRAZOL4YL)METHYLIDENE)2(4PROPOXYPHENYL)(13)THIAZOLO(32B)(124)TRIAZOL6ONE
CCCOC1=CC=C(C=C1)C2=NN3C(=O)C(=CC4=CN(N=C4C5=CC=CS5)C6=CC=CC=C6)SC3=N2
CCCOc1ccc(cc1)c1nn2c(n1)sc(=Cc1cn(nc1c1cccs1)c1ccccc1)c2=O
InChI=1SC27H21N5O2S2c12143421121018(111321)25282732(3025)26(33)23(3627)16191731(207435820)2924(19)2296153522h3131517H214H21H3b2316
MFCD03497691
ZINC000001806448
ZINC01806448
ZINC1806448
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