Vitas-M small molecule compound
(5Z)-5-({3-[3-methyl-4-(prop-2-en-1-yloxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-2-(pyridin-4-yl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK811661
SMILES C=CCOc1ccc(cc1C)c1nn(cc1/C=c/1\sc2n(c1=O)nc(n2)c1ccncc1)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 C29H22N6O2S MW 518.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H22N6O2S/c1-3-15-37-24-10-9-21(16-19(24)2)26-22(18-34(32-26)23-7-5-4-6-8-23)17-25-28(36)35-29(38-25)31-27(33-35)20-11-13-30-14-12-20/h3-14,16-18H,1,15H2,2H3/b25-17-InChIKey
JIJBRFKUGJCSQA-UQQQWYQISA-NSynonyms
(5Z)5((3(3methyl4(prop2en1yloxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)2(pyridin4yl)(13)thiazolo(32b)(124)triazol6(5H)one
(5Z)5((3(3METHYL4PROP2ENOXYPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)2PYRIDIN4YL(13)THIAZOLO(32B)(124)TRIAZOL6ONE
(Z)5((3(4(allyloxy)3methylphenyl)1phenyl1Hpyrazol4yl)methylene)2(pyridin4yl)thiazolo(32b)(124)triazol6(5H)one
C=CCOc1ccc(cc1C)c1nn(cc1C=c1sc2n(c1=O)nc(n2)c1ccncc1)c1ccccc1
CC1=C(C=CC(=C1)C2=NN(C=C2C=C3C(=O)N4C(=NC(=N4)C5=CC=NC=C5)S3)C6=CC=CC=C6)OCC=C
InChI=1SC29H22N6O2Sc1315372410921(1619(24)2)2622(1834(3226)237546823)172528(36)3529(3825)3127(3335)20111330141220h3141618H115H22H3b2517
MFCD02998325
ZINC000013810452
ZINC13810452
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