Vitas-M small molecule compound

(5Z)-3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-5-[(3-{4-[(2-fluorobenzyl)oxy]phenyl}-1-phenyl-1H-pyrazol-4-yl)methylidene]-2-thioxo-1,3-thiazolidin-4-one

Catalog ID
STK798288
SMILES Fc1ccccc1COc1ccc(cc1)c1nn(cc1/C=C/1\SC(=S)N(C1=O)c1c(C)n(n(c1=O)c1ccccc1)C)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 C37H28FN5O3S2 MW 673.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H28FN5O3S2/c1-24-34(36(45)43(40(24)2)29-14-7-4-8-15-29)42-35(44)32(48-37(42)47)21-27-22-41(28-12-5-3-6-13-28)39-33(27)25-17-19-30(20-18-25)46-23-26-11-9-10-16-31(26)38/h3-22H,23H2,1-2H3/b32-21-
InChIKey
VWSMILSFFHNMCS-QXPFVDMISA-N
Synonyms

(5Z)3(15dimethyl3oxo2phenyl23dihydro1Hpyrazol4yl)5((3(4((2fluorobenzyl)oxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)2thioxo13thiazolidin4one
(5Z)3(15dimethyl3oxo2phenylpyrazol4yl)5((3(4((2fluorophenyl)methoxy)phenyl)1phenylpyrazol4yl)methylidene)2sulfanylidene13thiazolidin4one
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(=O)C(=CC4=CN(N=C4C5=CC=C(C=C5)OCC6=CC=CC=C6F)C7=CC=CC=C7)SC3=S
Fc1ccccc1COc1ccc(cc1)c1nn(cc1C=C1SC(=S)N(C1=O)c1c(C)n(n(c1=O)c1ccccc1)C)c1ccccc1
InChI=1SC37H28FN5O3S2c12434(36(45)43(40(24)2)29147481529)4235(44)32(4837(42)47)21272241(28125361328)3933(27)25171930(201825)462326119101631(26)38h322H23H212H3b3221
MFCD03417618
ZINC000150399592
ZINC150399592

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Available files

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