Vitas-M small molecule compound
(5Z)-5-[(1,3-diphenyl-1H-pyrazol-4-yl)methylidene]-3-dodecyl-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK813459
SMILES CCCCCCCCCCCCN1C(=S)S/C(=C\c2cn(nc2c2ccccc2)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 C31H37N3OS2 MW 531.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H37N3OS2/c1-2-3-4-5-6-7-8-9-10-17-22-33-30(35)28(37-31(33)36)23-26-24-34(27-20-15-12-16-21-27)32-29(26)25-18-13-11-14-19-25/h11-16,18-21,23-24H,2-10,17,22H2,1H3/b28-23-InChIKey
LJWPRMNTEYOREB-NFFVHWSESA-NSynonyms
(5Z)5((13diphenyl1Hpyrazol4yl)methylidene)3dodecyl2thioxo13thiazolidin4one
(5Z)5((13diphenylpyrazol4yl)methylidene)3dodecyl2sulfanylidene13thiazolidin4one
5((13DIPHENYL1HPYRAZOL4YL)METHYLENE)3DODECYL2THIOXOTHIAZOLIDIN4ONE
CCCCCCCCCCCCN1C(=O)C(=CC2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4)SC1=S
CCCCCCCCCCCCN1C(=S)SC(=Cc2cn(nc2c2ccccc2)c2ccccc2)C1=O
InChI=1SC31H37N3OS2c1234567891017223330(35)28(3731(33)36)23262434(27201512162127)3229(26)25181311141925h111618212324H2101722H21H3b2823
MFCD04441579
ZINC000100871480
ZINC100871480
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