Vitas-M small molecule compound

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

Catalog ID
STK812018
SMILES CCCCCCCN1C(=S)S/C(=C\c2cn(nc2c2ccc(cc2C)OC)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 C28H31N3O2S2 MW 505.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31N3O2S2/c1-4-5-6-7-11-16-30-27(32)25(35-28(30)34)18-21-19-31(22-12-9-8-10-13-22)29-26(21)24-15-14-23(33-3)17-20(24)2/h8-10,12-15,17-19H,4-7,11,16H2,1-3H3/b25-18-
InChIKey
UAQHGJIHBANPNX-BWAHOGKJSA-N
Synonyms

(5Z)3heptyl5((3(4methoxy2methylphenyl)1phenyl1Hpyrazol4yl)methylidene)2thioxo13thiazolidin4one
(5Z)3heptyl5((3(4methoxy2methylphenyl)1phenylpyrazol4yl)methylidene)2sulfanylidene13thiazolidin4one
CCCCCCCN1C(=O)C(=CC2=CN(N=C2C3=C(C=C(C=C3)OC)C)C4=CC=CC=C4)SC1=S
CCCCCCCN1C(=S)SC(=Cc2cn(nc2c2ccc(cc2C)OC)c2ccccc2)C1=O
InChI=1SC28H31N3O2S2c1456711163027(32)25(3528(30)34)18211931(221298101322)2926(21)24151423(333)1720(24)2h81012151719H471116H213H3b2518
MFCD06264959
ZINC000097946472
ZINC97946472

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Available files

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