Vitas-M small molecule compound
(5Z)-2-(3-chlorophenyl)-5-{[3-(3,4-dimethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK703982
SMILES COc1cc(ccc1OC)c1nn(cc1/C=c/1\sc2n(c1=O)nc(n2)c1cccc(c1)Cl)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 C28H20ClN5O3S MW 542.02 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H20ClN5O3S/c1-36-22-12-11-17(14-23(22)37-2)25-19(16-33(31-25)21-9-4-3-5-10-21)15-24-27(35)34-28(38-24)30-26(32-34)18-7-6-8-20(29)13-18/h3-16H,1-2H3/b24-15-InChIKey
YVPFXLXAOMRLTN-IWIPYMOSSA-NSynonyms
(5Z)2(3chlorophenyl)5((3(34dimethoxyphenyl)1phenyl1Hpyrazol4yl)methylidene)(13)thiazolo(32b)(124)triazol6(5H)one
(5Z)2(3CHLOROPHENYL)5((3(34DIMETHOXYPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)(13)THIAZOLO(32B)(124)TRIAZOL6ONE
COC1=C(C=C(C=C1)C2=NN(C=C2C=C3C(=O)N4C(=NC(=N4)C5=CC(=CC=C5)Cl)S3)C6=CC=CC=C6)OC
COc1cc(ccc1OC)c1nn(cc1C=c1sc2n(c1=O)nc(n2)c1cccc(c1)Cl)c1ccccc1
InChI=1SC28H20ClN5O3Sc13622121117(1423(22)372)2519(1633(3125)2194351021)152427(35)3428(3824)3026(3234)1876820(29)1318h316H12H3b2415
MFCD04553638
ZINC000098046598
ZINC98046598
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