Vitas-M small molecule compound
(5Z)-5-{[3-(3,4-dimethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-(4-fluorophenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK704988
SMILES COc1ccc(cc1OC)c1nn(cc1/C=c/1\sc2n(c1=O)nc(n2)c1ccc(cc1)F)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 C28H20FN5O3S MW 525.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H20FN5O3S/c1-36-22-13-10-18(14-23(22)37-2)25-19(16-33(31-25)21-6-4-3-5-7-21)15-24-27(35)34-28(38-24)30-26(32-34)17-8-11-20(29)12-9-17/h3-16H,1-2H3/b24-15-InChIKey
VZPTXPQURJWYRP-IWIPYMOSSA-NSynonyms
(5Z)5((3(34dimethoxyphenyl)1phenyl1Hpyrazol4yl)methylidene)2(4fluorophenyl)(13)thiazolo(32b)(124)triazol6(5H)one
(5Z)5((3(34DIMETHOXYPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)2(4FLUOROPHENYL)(13)THIAZOLO(32B)(124)TRIAZOL6ONE
COC1=C(C=C(C=C1)C2=NN(C=C2C=C3C(=O)N4C(=NC(=N4)C5=CC=C(C=C5)F)S3)C6=CC=CC=C6)OC
COc1ccc(cc1OC)c1nn(cc1C=c1sc2n(c1=O)nc(n2)c1ccc(cc1)F)c1ccccc1
InChI=1SC28H20FN5O3Sc13622131018(1423(22)372)2519(1633(3125)216435721)152427(35)3428(3824)3026(3234)1781120(29)12917h316H12H3b2415
MFCD04446704
ZINC000098046599
ZINC98046599
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