Vitas-M small molecule compound

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

Catalog ID
STK880865
SMILES CCOCCCN1C(=S)S/C(=C\c2cn(nc2c2cccc(c2C)OCC(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 C29H33N3O3S2 MW 535.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H33N3O3S2/c1-5-34-16-10-15-31-28(33)26(37-29(31)36)17-22-18-32(23-11-7-6-8-12-23)30-27(22)24-13-9-14-25(21(24)4)35-19-20(2)3/h6-9,11-14,17-18,20H,5,10,15-16,19H2,1-4H3/b26-17-
InChIKey
XYNRDBFKKOGPSX-ONUIUJJFSA-N
Synonyms

(5Z)3(3ethoxypropyl)5((3(2methyl3(2methylpropoxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)2thioxo13thiazolidin4one
(5Z)3(3ethoxypropyl)5((3(2methyl3(2methylpropoxy)phenyl)1phenylpyrazol4yl)methylidene)2sulfanylidene13thiazolidin4one
3(3ETHOXYPROPYL)5((3(3ISOBUTOXY2METHYLPHENYL)1PHENYL1HPYRAZOL4YL)METHYLENE)2THIOXOTHIAZOLIDIN4ONE
CCOCCCN1C(=O)C(=CC2=CN(N=C2C3=C(C(=CC=C3)OCC(C)C)C)C4=CC=CC=C4)SC1=S
CCOCCCN1C(=S)SC(=Cc2cn(nc2c2cccc(c2C)OCC(C)C)c2ccccc2)C1=O
InChI=1SC29H33N3O3S2c15341610153128(33)26(3729(31)36)17221832(23117681223)3027(22)241391425(21(24)4)351920(2)3h691114171820H510151619H214H3b2617
MFCD04441407
ZINC000100871108
ZINC100871108

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Available files

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