Vitas-M small molecule compound

(5Z)-5-{[3-(4-ethoxy-3-fluorophenyl)-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
STK817156
SMILES CCOc1ccc(cc1F)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 C26H18FN5O2S2 MW 515.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H18FN5O2S2/c1-2-34-20-11-10-16(13-19(20)27)23-17(15-31(29-23)18-7-4-3-5-8-18)14-22-25(33)32-26(36-22)28-24(30-32)21-9-6-12-35-21/h3-15H,2H2,1H3/b22-14-
InChIKey
UHSUIPHMNIGRHI-HMAPJEAMSA-N
Synonyms

(5Z)5((3(4ethoxy3fluorophenyl)1phenyl1Hpyrazol4yl)methylidene)2(thiophen2yl)(13)thiazolo(32b)(124)triazol6(5H)one
(5Z)5((3(4ETHOXY3FLUOROPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)2THIOPHEN2YL(13)THIAZOLO(32B)(124)TRIAZOL6ONE
CCOC1=C(C=C(C=C1)C2=NN(C=C2C=C3C(=O)N4C(=NC(=N4)C5=CC=CS5)S3)C6=CC=CC=C6)F
CCOc1ccc(cc1F)c1nn(cc1C=c1sc2n(c1=O)nc(n2)c1cccs1)c1ccccc1
InChI=1SC26H18FN5O2S2c123420111016(1319(20)27)2317(1531(2923)187435818)142225(33)3226(3622)2824(3032)2196123521h315H2H21H3b2214
MFCD03534633
ZINC000016805691
ZINC16805691

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Available files

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