Vitas-M small molecule compound

2-[(5Z)-6-oxo-5-({1-phenyl-3-[4-(prop-2-en-1-yloxy)phenyl]-1H-pyrazol-4-yl}methylidene)-5,6-dihydro[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]phenyl acetate

Catalog ID
STK703040
SMILES C=CCOc1ccc(cc1)c1nn(cc1/C=c/1\sc2n(c1=O)nc(n2)c1ccccc1OC(=O)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 C31H23N5O4S MW 561.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H23N5O4S/c1-3-17-39-24-15-13-21(14-16-24)28-22(19-35(33-28)23-9-5-4-6-10-23)18-27-30(38)36-31(41-27)32-29(34-36)25-11-7-8-12-26(25)40-20(2)37/h3-16,18-19H,1,17H2,2H3/b27-18-
InChIKey
AERORHRNFAGMFK-IMRQLAEWSA-N
Synonyms

(2((5Z)6OXO5((1PHENYL3(4PROP2ENOXYPHENYL)PYRAZOL4YL)METHYLIDENE)(13)THIAZOLO(32B)(124)TRIAZOL2YL)PHENYL)ACETATE
(Z)2(5((3(4(allyloxy)phenyl)1phenyl1Hpyrazol4yl)methylene)6oxo56dihydrothiazolo(32b)(124)triazol2yl)phenylacetate
2((5Z)6oxo5((1phenyl3(4(prop2en1yloxy)phenyl)1Hpyrazol4yl)methylidene)56dihydro(13)thiazolo(32b)(124)triazol2yl)phenylacetate
C=CCOc1ccc(cc1)c1nn(cc1C=c1sc2n(c1=O)nc(n2)c1ccccc1OC(=O)C)c1ccccc1
CC(=O)OC1=CC=CC=C1C2=NN3C(=O)C(=CC4=CN(N=C4C5=CC=C(C=C5)OCC=C)C6=CC=CC=C6)SC3=N2
InChI=1SC31H23N5O4Sc13173924151321(141624)2822(1935(3328)2395461023)182730(38)3631(4127)3229(3436)2511781226(25)4020(2)37h3161819H117H22H3b2718
MFCD02994795
ZINC000001781420
ZINC01781420
ZINC1781420

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Available files

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