Vitas-M small molecule compound
(5Z)-5-{[3-(3,4-dimethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-dodecyl-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK813892
SMILES CCCCCCCCCCCCN1C(=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 C33H41N3O3S2 MW 591.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H41N3O3S2/c1-4-5-6-7-8-9-10-11-12-16-21-35-32(37)30(41-33(35)40)23-26-24-36(27-17-14-13-15-18-27)34-31(26)25-19-20-28(38-2)29(22-25)39-3/h13-15,17-20,22-24H,4-12,16,21H2,1-3H3/b30-23-InChIKey
PTSHIUPRDDOBDH-WMMMYUQOSA-NSynonyms
(5Z)5((3(34dimethoxyphenyl)1phenyl1Hpyrazol4yl)methylidene)3dodecyl2thioxo13thiazolidin4one
(5Z)5((3(34dimethoxyphenyl)1phenylpyrazol4yl)methylidene)3dodecyl2sulfanylidene13thiazolidin4one
5((3(34DIMETHOXYPHENYL)1PHENYL1HPYRAZOL4YL)METHYLENE)3DODECYL2THIOXOTHIAZOLIDIN4ONE
CCCCCCCCCCCCN1C(=O)C(=CC2=CN(N=C2C3=CC(=C(C=C3)OC)OC)C4=CC=CC=C4)SC1=S
CCCCCCCCCCCCN1C(=S)SC(=Cc2cn(nc2c2ccc(c(c2)OC)OC)c2ccccc2)C1=O
InChI=1SC33H41N3O3S2c145678910111216213532(37)30(4133(35)40)23262436(27171413151827)3431(26)25192028(382)29(2225)393h131517202224H4121621H213H3b3023
MFCD04441832
ZINC000100871862
ZINC100871862
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