Vitas-M small molecule compound

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

Catalog ID
STK880736
SMILES CCCCCCCN1C(=S)S/C(=C\c2cn(nc2c2ccc(c(c2)OC)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 C28H31N3O3S2 MW 521.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31N3O3S2/c1-4-5-6-7-11-16-30-27(32)25(36-28(30)35)18-21-19-31(22-12-9-8-10-13-22)29-26(21)20-14-15-23(33-2)24(17-20)34-3/h8-10,12-15,17-19H,4-7,11,16H2,1-3H3/b25-18-
InChIKey
UNCICOHSZSLAIG-BWAHOGKJSA-N
Synonyms

(5Z)5((3(34dimethoxyphenyl)1phenyl1Hpyrazol4yl)methylidene)3heptyl2thioxo13thiazolidin4one
(5Z)5((3(34dimethoxyphenyl)1phenylpyrazol4yl)methylidene)3heptyl2sulfanylidene13thiazolidin4one
5((3(34DIMETHOXYPHENYL)1PHENYL1HPYRAZOL4YL)METHYLENE)3HEPTYL2THIOXOTHIAZOLIDIN4ONE
CCCCCCCN1C(=O)C(=CC2=CN(N=C2C3=CC(=C(C=C3)OC)OC)C4=CC=CC=C4)SC1=S
CCCCCCCN1C(=S)SC(=Cc2cn(nc2c2ccc(c(c2)OC)OC)c2ccccc2)C1=O
InChI=1SC28H31N3O3S2c1456711163027(32)25(3628(30)35)18211931(221298101322)2926(21)20141523(332)24(1720)343h81012151719H471116H213H3b2518
MFCD04441327
ZINC000100871008
ZINC100871008

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Available files

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