Vitas-M small molecule compound
(5Z)-5-{[3-(3-fluoro-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-(furan-2-yl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK819754
SMILES COc1ccc(cc1F)c1nn(cc1/C=c/1\sc2n(c1=O)nc(n2)c1ccco1)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 C25H16FN5O3S MW 485.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H16FN5O3S/c1-33-19-10-9-15(12-18(19)26)22-16(14-30(28-22)17-6-3-2-4-7-17)13-21-24(32)31-25(35-21)27-23(29-31)20-8-5-11-34-20/h2-14H,1H3/b21-13-InChIKey
DJADQKFMFAWNAO-BKUYFWCQSA-NSynonyms
(5Z)5((3(3fluoro4methoxyphenyl)1phenyl1Hpyrazol4yl)methylidene)2(furan2yl)(13)thiazolo(32b)(124)triazol6(5H)one
(5Z)5((3(3FLUORO4METHOXYPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)2(FURAN2YL)(13)THIAZOLO(32B)(124)TRIAZOL6ONE
COC1=C(C=C(C=C1)C2=NN(C=C2C=C3C(=O)N4C(=NC(=N4)C5=CC=CO5)S3)C6=CC=CC=C6)F
COc1ccc(cc1F)c1nn(cc1C=c1sc2n(c1=O)nc(n2)c1ccco1)c1ccccc1
InChI=1SC25H16FN5O3Sc1331910915(1218(19)26)2216(1430(2822)176324717)132124(32)3125(3521)2723(2931)2085113420h214H1H3b2113
MFCD04448605
ZINC000016741289
ZINC16741289
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