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-(thiophen-2-yl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one

Catalog ID
STK703324
SMILES C=CCOc1ccc(cc1C)c1nn(cc1/C=c/1\sc2n(c1=O)nc(n2)c1cccs1)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 C28H21N5O2S2 MW 523.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H21N5O2S2/c1-3-13-35-22-12-11-19(15-18(22)2)25-20(17-32(30-25)21-8-5-4-6-9-21)16-24-27(34)33-28(37-24)29-26(31-33)23-10-7-14-36-23/h3-12,14-17H,1,13H2,2H3/b24-16-
InChIKey
QKCIOJOUYDORMB-JLPGSUDCSA-N
Synonyms

(5Z)5((3(3methyl4(prop2en1yloxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)2(thiophen2yl)(13)thiazolo(32b)(124)triazol6(5H)one
(5Z)5((3(3METHYL4PROP2ENOXYPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)2THIOPHEN2YL(13)THIAZOLO(32B)(124)TRIAZOL6ONE
(Z)5((3(4(allyloxy)3methylphenyl)1phenyl1Hpyrazol4yl)methylene)2(thiophen2yl)thiazolo(32b)(124)triazol6(5H)one
C=CCOc1ccc(cc1C)c1nn(cc1C=c1sc2n(c1=O)nc(n2)c1cccs1)c1ccccc1
CC1=C(C=CC(=C1)C2=NN(C=C2C=C3C(=O)N4C(=NC(=N4)C5=CC=CS5)S3)C6=CC=CC=C6)OCC=C
InChI=1SC28H21N5O2S2c13133522121119(1518(22)2)2520(1732(3025)218546921)162427(34)3328(3724)2926(3133)23107143623h3121417H113H22H3b2416
MFCD02986505
ZINC000097951050
ZINC97951050

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Available files

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