Vitas-M small molecule compound
(5Z)-5-{[3-(3-chloro-4-ethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-dodecyl-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK815456
SMILES CCCCCCCCCCCCN1C(=S)S/C(=C\c2cn(nc2c2ccc(c(c2)Cl)OCC)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 C33H40ClN3O2S2 MW 610.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H40ClN3O2S2/c1-3-5-6-7-8-9-10-11-12-16-21-36-32(38)30(41-33(36)40)23-26-24-37(27-17-14-13-15-18-27)35-31(26)25-19-20-29(39-4-2)28(34)22-25/h13-15,17-20,22-24H,3-12,16,21H2,1-2H3/b30-23-InChIKey
IDGXVZOCTHRFPN-WMMMYUQOSA-NSynonyms
(5Z)5((3(3chloro4ethoxyphenyl)1phenyl1Hpyrazol4yl)methylidene)3dodecyl2thioxo13thiazolidin4one
(5Z)5((3(3chloro4ethoxyphenyl)1phenylpyrazol4yl)methylidene)3dodecyl2sulfanylidene13thiazolidin4one
CCCCCCCCCCCCN1C(=O)C(=CC2=CN(N=C2C3=CC(=C(C=C3)OCC)Cl)C4=CC=CC=C4)SC1=S
CCCCCCCCCCCCN1C(=S)SC(=Cc2cn(nc2c2ccc(c(c2)Cl)OCC)c2ccccc2)C1=O
InChI=1SC33H40ClN3O2S2c135678910111216213632(38)30(4133(36)40)23262437(27171413151827)3531(26)25192029(3942)28(34)2225h131517202224H3121621H212H3b3023
MFCD04442673
ZINC000097946515
ZINC97946515
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