Vitas-M small molecule compound
(5Z)-2-(4-butoxyphenyl)-5-({3-[4-(hexyloxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK904954
SMILES CCCCCCOc1ccc(cc1)c1nn(cc1/C=c/1\sc2n(c1=O)nc(n2)c1ccc(cc1)OCCCC)c1ccccc1
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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 C36H37N5O3S MW 619.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H37N5O3S/c1-3-5-7-11-23-44-30-18-14-26(15-19-30)33-28(25-40(38-33)29-12-9-8-10-13-29)24-32-35(42)41-36(45-32)37-34(39-41)27-16-20-31(21-17-27)43-22-6-4-2/h8-10,12-21,24-25H,3-7,11,22-23H2,1-2H3/b32-24-InChIKey
MEAOVAMKWQNRCQ-TZHWMEPESA-NSynonyms
(5Z)2(4butoxyphenyl)5((3(4(hexyloxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)(13)thiazolo(32b)(124)triazol6(5H)one
(5Z)2(4butoxyphenyl)5((3(4hexoxyphenyl)1phenylpyrazol4yl)methylidene)(13)thiazolo(32b)(124)triazol6one
CCCCCCOC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=O)N4C(=NC(=N4)C5=CC=C(C=C5)OCCCC)S3)C6=CC=CC=C6
CCCCCCOc1ccc(cc1)c1nn(cc1C=c1sc2n(c1=O)nc(n2)c1ccc(cc1)OCCCC)c1ccccc1
InChI=1SC36H37N5O3Sc135711234430181426(151930)3328(2540(3833)291298101329)243235(42)4136(4532)3734(3941)27162031(211727)4322642h81012212425H37112223H212H3b3224
MFCD03534668
ZINC000097947361
ZINC97947361
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