Vitas-M small molecule compound

(5Z)-5-{[3-(4-methoxy-3-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-phenyl[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one

Catalog ID
STK799981
SMILES COc1ccc(cc1C)c1nn(cc1/C=c/1\sc2n(c1=O)nc(n2)c1ccccc1)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 C28H21N5O2S MW 491.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H21N5O2S/c1-18-15-20(13-14-23(18)35-2)25-21(17-32(30-25)22-11-7-4-8-12-22)16-24-27(34)33-28(36-24)29-26(31-33)19-9-5-3-6-10-19/h3-17H,1-2H3/b24-16-
InChIKey
NGFMYXWKPDBSNG-JLPGSUDCSA-N
Synonyms

(5Z)5((3(4methoxy3methylphenyl)1phenyl1Hpyrazol4yl)methylidene)2phenyl(13)thiazolo(32b)(124)triazol6(5H)one
(5Z)5((3(4methoxy3methylphenyl)1phenylpyrazol4yl)methylidene)2phenyl(13)thiazolo(32b)(124)triazol6one
CC1=C(C=CC(=C1)C2=NN(C=C2C=C3C(=O)N4C(=NC(=N4)C5=CC=CC=C5)S3)C6=CC=CC=C6)OC
COc1ccc(cc1C)c1nn(cc1C=c1sc2n(c1=O)nc(n2)c1ccccc1)c1ccccc1
InChI=1SC28H21N5O2Sc1181520(131423(18)352)2521(1732(3025)22117481222)162427(34)3328(3624)2926(3133)1995361019h317H12H3b2416
MFCD03534642
ZINC000016735332
ZINC16735332

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Available files

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