Vitas-M small molecule compound

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

Catalog ID
STK702660
SMILES COCCCN1C(=S)S/C(=C\c2cn(nc2c2ccc(cc2)OCCC(C)C)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 C28H31N3O3S2 MW 521.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31N3O3S2/c1-20(2)14-17-34-24-12-10-21(11-13-24)26-22(19-31(29-26)23-8-5-4-6-9-23)18-25-27(32)30(28(35)36-25)15-7-16-33-3/h4-6,8-13,18-20H,7,14-17H2,1-3H3/b25-18-
InChIKey
AXYGBZATPDFSGW-BWAHOGKJSA-N
Synonyms

(5Z)3(3methoxypropyl)5((3(4(3methylbutoxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)2thioxo13thiazolidin4one
(5Z)3(3METHOXYPROPYL)5((3(4(3METHYLBUTOXY)PHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)5((3(4(isopentyloxy)phenyl)1phenyl1Hpyrazol4yl)methylene)3(3methoxypropyl)2thioxothiazolidin4one
CC(C)CCOC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)CCCOC)C4=CC=CC=C4
COCCCN1C(=S)SC(=Cc2cn(nc2c2ccc(cc2)OCCC(C)C)c2ccccc2)C1=O
InChI=1SC28H31N3O3S2c120(2)14173424121021(111324)2622(1931(2926)238546923)182527(32)30(28(35)3625)15716333h468131820H71417H213H3b2518
MFCD02986143
ZINC000009066564
ZINC09066564
ZINC9066564

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Available files

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