Vitas-M small molecule compound

(5Z)-2-[(E)-2-(4-fluorophenyl)ethenyl]-5-(3-phenoxybenzylidene)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one

Catalog ID
STK515810
SMILES Fc1ccc(cc1)/C=C/c1nn2c(n1)s/c(=C\c1cccc(c1)Oc1ccccc1)/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 C25H16FN3O2S MW 441.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H16FN3O2S/c26-19-12-9-17(10-13-19)11-14-23-27-25-29(28-23)24(30)22(32-25)16-18-5-4-8-21(15-18)31-20-6-2-1-3-7-20/h1-16H/b14-11+,22-16-
InChIKey
BYVUEUMHBYKMAS-CEFCJMCMSA-N
Synonyms

(5Z)2((E)2(4fluorophenyl)ethenyl)5((3phenoxyphenyl)methylidene)(13)thiazolo(32b)(124)triazol6one
(5Z)2((E)2(4fluorophenyl)ethenyl)5(3phenoxybenzylidene)(13)thiazolo(32b)(124)triazol6(5H)one
C1=CC=C(C=C1)OC2=CC=CC(=C2)C=C3C(=O)N4C(=NC(=N4)C=CC5=CC=C(C=C5)F)S3
Fc1ccc(cc1)C=Cc1nn2c(n1)sc(=Cc1cccc(c1)Oc1ccccc1)c2=O
InChI=1SC25H16FN3O2Sc261912917(101319)111423272529(2823)24(30)22(3225)161854821(1518)31206213720h116Hb1411+2216
MFCD06645390
ZINC000016742054
ZINC16742054

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Available files

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