Vitas-M small molecule compound
N-(2-cyanoethyl)-4-{(5Z)-4-oxo-5-[(2E)-3-phenylprop-2-en-1-ylidene]-2-thioxo-1,3-thiazolidin-3-yl}-N-phenylbutanamide
Catalog ID
STK918599
SMILES N#CCCN(c1ccccc1)C(=O)CCCN1C(=S)S/C(=C\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 C25H23N3O2S2 MW 461.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23N3O2S2/c26-17-9-19-27(21-13-5-2-6-14-21)23(29)16-8-18-28-24(30)22(32-25(28)31)15-7-12-20-10-3-1-4-11-20/h1-7,10-15H,8-9,16,18-19H2/b12-7+,22-15-InChIKey
KXYKNBOPHJFQBG-HFAHNTRXSA-NSynonyms
4(5((2E)3PHENYLPROP2ENYLIDENE)4OXO2THIOXO(13THIAZOLIDIN3YL))N(2CYANOETHYL)NPHENYLBUTANAMIDE
C1=CC=C(C=C1)C=CC=C2C(=O)N(C(=S)S2)CCCC(=O)N(CCC#N)C3=CC=CC=C3
InChI=1SC25H23N3O2S2c261791927(21135261421)23(29)168182824(30)22(3225(28)31)1571220103141120h171015H89161819H2b127+2215
MFCD04072050
N#CCCN(c1ccccc1)C(=O)CCCN1C(=S)SC(=CC=Cc2ccccc2)C1=O
N(2cyanoethyl)4((5Z)4oxo5((2E)3phenylprop2en1ylidene)2thioxo13thiazolidin3yl)Nphenylbutanamide
N(2CYANOETHYL)4((5Z)4OXO5((E)3PHENYLPROP2ENYLIDENE)2SULFANYLIDENE13THIAZOLIDIN3YL)NPHENYLBUTANAMIDE
ZINC000008833887
ZINC08833887
ZINC8833887
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