Vitas-M small molecule compound
(5Z)-5-{[3-(4-butoxy-3-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-(pyridin-3-yl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK809995
SMILES CCCCOc1ccc(cc1C)c1nn(cc1/C=c/1\sc2n(c1=O)nc(n2)c1cccnc1)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 C30H26N6O2S MW 534.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H26N6O2S/c1-3-4-15-38-25-13-12-21(16-20(25)2)27-23(19-35(33-27)24-10-6-5-7-11-24)17-26-29(37)36-30(39-26)32-28(34-36)22-9-8-14-31-18-22/h5-14,16-19H,3-4,15H2,1-2H3/b26-17-InChIKey
MKGYTBMYSGFVNI-ONUIUJJFSA-NSynonyms
(5Z)5((3(4butoxy3methylphenyl)1phenyl1Hpyrazol4yl)methylidene)2(pyridin3yl)(13)thiazolo(32b)(124)triazol6(5H)one
(5Z)5((3(4BUTOXY3METHYLPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)2PYRIDIN3YL(13)THIAZOLO(32B)(124)TRIAZOL6ONE
(Z)5((3(4butoxy3methylphenyl)1phenyl1Hpyrazol4yl)methylene)2(pyridin3yl)thiazolo(32b)(124)triazol6(5H)one
CCCCOC1=C(C=C(C=C1)C2=NN(C=C2C=C3C(=O)N4C(=NC(=N4)C5=CN=CC=C5)S3)C6=CC=CC=C6)C
CCCCOc1ccc(cc1C)c1nn(cc1C=c1sc2n(c1=O)nc(n2)c1cccnc1)c1ccccc1
InChI=1SC30H26N6O2Sc134153825131221(1620(25)2)2723(1935(3327)24106571124)172629(37)3630(3926)3228(3436)229814311822h5141619H3415H212H3b2617
MFCD02986662
ZINC000100724818
ZINC100724818
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