Vitas-M small molecule compound
(5Z)-2-(4-methoxyphenyl)-5-{[3-(4-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK897501
SMILES COc1ccc(cc1)c1nn2c(n1)s/c(=C\c1cn(nc1c1ccc(cc1)C)c1ccccc1)/c2=O
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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 C28H21N5O2S MW 491.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H21N5O2S/c1-18-8-10-19(11-9-18)25-21(17-32(30-25)22-6-4-3-5-7-22)16-24-27(34)33-28(36-24)29-26(31-33)20-12-14-23(35-2)15-13-20/h3-17H,1-2H3/b24-16-InChIKey
UIXPLWZNEVKWAY-JLPGSUDCSA-NSynonyms
(5Z)2(4methoxyphenyl)5((3(4methylphenyl)1phenyl1Hpyrazol4yl)methylidene)(13)thiazolo(32b)(124)triazol6(5H)one
(5Z)2(4methoxyphenyl)5((3(4methylphenyl)1phenylpyrazol4yl)methylidene)(13)thiazolo(32b)(124)triazol6one
CC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=O)N4C(=NC(=N4)C5=CC=C(C=C5)OC)S3)C6=CC=CC=C6
COc1ccc(cc1)c1nn2c(n1)sc(=Cc1cn(nc1c1ccc(cc1)C)c1ccccc1)c2=O
InChI=1SC28H21N5O2Sc11881019(11918)2521(1732(3025)226435722)162427(34)3328(3624)2926(3133)20121423(352)151320h317H12H3b2416
MFCD03461733
ZINC000000956042
ZINC00956042
ZINC956042
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