Vitas-M small molecule compound
(2Z)-2-{[3-(4-ethoxy-3-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-6-phenyl-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione
Catalog ID
STK813988
SMILES CCOc1ccc(cc1F)c1nn(cc1/C=c/1\sc2n(c1=O)nc(c(=O)n2)c1ccccc1)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 C29H20FN5O3S MW 537.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H20FN5O3S/c1-2-38-23-14-13-19(15-22(23)30)25-20(17-34(32-25)21-11-7-4-8-12-21)16-24-28(37)35-29(39-24)31-27(36)26(33-35)18-9-5-3-6-10-18/h3-17H,2H2,1H3/b24-16-InChIKey
IGKJDFRWOYKWPX-JLPGSUDCSA-NSynonyms
(2Z)2((3(4ethoxy3fluorophenyl)1phenyl1Hpyrazol4yl)methylidene)6phenyl7H(13)thiazolo(32b)(124)triazine37(2H)dione
(2Z)2((3(4ETHOXY3FLUOROPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)6PHENYL(13)THIAZOLO(32B)(124)TRIAZINE37DIONE
2((3(4ETHOXY3FLUOROPHENYL)1PHENYL1HPYRAZOL4YL)METHYLENE)6PHENYL2HTHIAZOLO(32B)(124)TRIAZINE37DIONE
CCOC1=C(C=C(C=C1)C2=NN(C=C2C=C3C(=O)N4C(=NC(=O)C(=N4)C5=CC=CC=C5)S3)C6=CC=CC=C6)F
CCOc1ccc(cc1F)c1nn(cc1C=c1sc2n(c1=O)nc(c(=O)n2)c1ccccc1)c1ccccc1
InChI=1SC29H20FN5O3Sc123823141319(1522(23)30)2520(1734(3225)21117481221)162428(37)3529(3924)3127(36)26(3335)1895361018h317H2H21H3b2416
MFCD03534639
ZINC000100678178
ZINC100678178
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.