Vitas-M small molecule compound
(5Z)-5-({3-[3-methyl-4-(3-methylbutoxy)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
STK703310
SMILES CC(CCOc1ccc(cc1C)c1nn(cc1/C=c/1\sc2n(c1=O)nc(n2)c1ccncc1)c1ccccc1)C
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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 C31H28N6O2S MW 548.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H28N6O2S/c1-20(2)13-16-39-26-10-9-23(17-21(26)3)28-24(19-36(34-28)25-7-5-4-6-8-25)18-27-30(38)37-31(40-27)33-29(35-37)22-11-14-32-15-12-22/h4-12,14-15,17-20H,13,16H2,1-3H3/b27-18-InChIKey
AVUBQVZFTGPGHX-IMRQLAEWSA-NSynonyms
(5Z)5((3(3methyl4(3methylbutoxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)2(pyridin4yl)(13)thiazolo(32b)(124)triazol6(5H)one
(5Z)5((3(3METHYL4(3METHYLBUTOXY)PHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)2PYRIDIN4YL(13)THIAZOLO(32B)(124)TRIAZOL6ONE
(Z)5((3(4(isopentyloxy)3methylphenyl)1phenyl1Hpyrazol4yl)methylene)2(pyridin4yl)thiazolo(32b)(124)triazol6(5H)one
CC(CCOc1ccc(cc1C)c1nn(cc1C=c1sc2n(c1=O)nc(n2)c1ccncc1)c1ccccc1)C
CC1=C(C=CC(=C1)C2=NN(C=C2C=C3C(=O)N4C(=NC(=N4)C5=CC=NC=C5)S3)C6=CC=CC=C6)OCCC(C)C
InChI=1SC31H28N6O2Sc120(2)1316392610923(1721(26)3)2824(1936(3428)257546825)182730(38)3731(4027)3329(3537)22111432151222h41214151720H1316H213H3b2718
MFCD02995292
ZINC000097951180
ZINC97951180
Check stock
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Check stock on Vitas-MAvailable files
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