Vitas-M small molecule compound
(5Z)-5-{[3-(4-ethoxy-3-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-[(E)-2-(4-fluorophenyl)ethenyl][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK907059
SMILES CCOc1ccc(cc1F)c1nn(cc1/C=c/1\sc2n(c1=O)nc(n2)/C=C/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 C30H21F2N5O2S MW 553.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H21F2N5O2S/c1-2-39-25-14-11-20(16-24(25)32)28-21(18-36(35-28)23-6-4-3-5-7-23)17-26-29(38)37-30(40-26)33-27(34-37)15-10-19-8-12-22(31)13-9-19/h3-18H,2H2,1H3/b15-10+,26-17-InChIKey
QCCXRKJOPVJTMM-YJCBZZKFSA-NSynonyms
(5Z)5((3(4ethoxy3fluorophenyl)1phenyl1Hpyrazol4yl)methylidene)2((E)2(4fluorophenyl)ethenyl)(13)thiazolo(32b)(124)triazol6(5H)one
(5Z)5((3(4ethoxy3fluorophenyl)1phenylpyrazol4yl)methylidene)2((E)2(4fluorophenyl)ethenyl)(13)thiazolo(32b)(124)triazol6one
CCOC1=C(C=C(C=C1)C2=NN(C=C2C=C3C(=O)N4C(=NC(=N4)C=CC5=CC=C(C=C5)F)S3)C6=CC=CC=C6)F
CCOc1ccc(cc1F)c1nn(cc1C=c1sc2n(c1=O)nc(n2)C=Cc1ccc(cc1)F)c1ccccc1
InChI=1SC30H21F2N5O2Sc123925141120(1624(25)32)2821(1836(3528)236435723)172629(38)3730(4026)3327(3437)15101981222(31)13919h318H2H21H3b1510+2617
MFCD07480906
ZINC000097947427
ZINC97947427
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