Vitas-M small molecule compound
(5Z)-2-(4-tert-butylphenyl)-5-{[3-(4-ethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK821353
SMILES CCOc1ccc(cc1)c1nn(cc1/C=c/1\sc2n(c1=O)nc(n2)c1ccc(cc1)C(C)(C)C)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 C32H29N5O2S MW 547.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H29N5O2S/c1-5-39-26-17-13-21(14-18-26)28-23(20-36(34-28)25-9-7-6-8-10-25)19-27-30(38)37-31(40-27)33-29(35-37)22-11-15-24(16-12-22)32(2,3)4/h6-20H,5H2,1-4H3/b27-19-InChIKey
CZEDQONECSGIQQ-DIBXZPPDSA-NSynonyms
(5Z)2(4tertbutylphenyl)5((3(4ethoxyphenyl)1phenyl1Hpyrazol4yl)methylidene)(13)thiazolo(32b)(124)triazol6(5H)one
(5Z)2(4TERTBUTYLPHENYL)5((3(4ETHOXYPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)(13)THIAZOLO(32B)(124)TRIAZOL6ONE
CCOC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=O)N4C(=NC(=N4)C5=CC=C(C=C5)C(C)(C)C)S3)C6=CC=CC=C6
CCOc1ccc(cc1)c1nn(cc1C=c1sc2n(c1=O)nc(n2)c1ccc(cc1)C(C)(C)C)c1ccccc1
InChI=1SC32H29N5O2Sc153926171321(141826)2823(2036(3428)2597681025)192730(38)3731(4027)3329(3537)22111524(161222)32(23)4h620H5H214H3b2719
MFCD03462728
ZINC000097946925
ZINC97946925
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