Vitas-M small molecule compound

(5Z)-3-(3-ethoxypropyl)-5-{[3-(3-fluoro-4-propoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-thioxo-1,3-thiazolidin-4-one

Catalog ID
STK813340
SMILES CCOCCCN1C(=S)S/C(=C\c2cn(nc2c2ccc(c(c2)F)OCCC)c2ccccc2)/C1=O

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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 C27H28FN3O3S2 MW 525.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28FN3O3S2/c1-3-14-34-23-12-11-19(16-22(23)28)25-20(18-31(29-25)21-9-6-5-7-10-21)17-24-26(32)30(27(35)36-24)13-8-15-33-4-2/h5-7,9-12,16-18H,3-4,8,13-15H2,1-2H3/b24-17-
InChIKey
BRSLVZHBMUPAPC-ULJHMMPZSA-N
Synonyms

(5Z)3(3ethoxypropyl)5((3(3fluoro4propoxyphenyl)1phenyl1Hpyrazol4yl)methylidene)2thioxo13thiazolidin4one
(5Z)3(3ETHOXYPROPYL)5((3(3FLUORO4PROPOXYPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
3(3ETHOXYPROPYL)5((3(3FLUORO4PROPOXYPHENYL)1PHENYL1HPYRAZOL4YL)METHYLENE)2THIOXOTHIAZOLIDIN4ONE
CCCOC1=C(C=C(C=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)CCCOCC)C4=CC=CC=C4)F
CCOCCCN1C(=S)SC(=Cc2cn(nc2c2ccc(c(c2)F)OCCC)c2ccccc2)C1=O
InChI=1SC27H28FN3O3S2c13143423121119(1622(23)28)2520(1831(2925)2196571021)172426(32)30(27(35)3624)138153342h579121618H3481315H212H3b2417
MFCD04441500
ZINC000016805368
ZINC16805368

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Available files

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