Vitas-M small molecule compound

2-[(5Z)-4-oxo-5-({1-phenyl-3-[4-(propylsulfanyl)phenyl]-1H-pyrazol-4-yl}methylidene)-2-thioxo-1,3-thiazolidin-3-yl]ethanesulfonic acid

Catalog ID
STK881045
SMILES CCCSc1ccc(cc1)c1nn(cc1/C=C/1\SC(=S)N(C1=O)CCS(=O)(=O)O)c1ccccc1

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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 C24H23N3O4S4 MW 545.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H23N3O4S4/c1-2-13-33-20-10-8-17(9-11-20)22-18(16-27(25-22)19-6-4-3-5-7-19)15-21-23(28)26(24(32)34-21)12-14-35(29,30)31/h3-11,15-16H,2,12-14H2,1H3,(H,29,30,31)/b21-15-
InChIKey
LRGVZDUJOISCDE-QNGOZBTKSA-N
Synonyms
1008878-79-2
(Z)2(4oxo5((1phenyl3(4(propylthio)phenyl)1Hpyrazol4yl)methylene)2thioxothiazolidin3yl)ethanesulfonicacid
1008878792
2((5Z)4oxo5((1phenyl3(4(propylsulfanyl)phenyl)1Hpyrazol4yl)methylidene)2thioxo13thiazolidin3yl)ethanesulfonicacid
2((5Z)4OXO5((1PHENYL3(4PROPYLSULFANYLPHENYL)PYRAZOL4YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN3YL)ETHANESULFONICACID
CCCSC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)CCS(=O)(=O)O)C4=CC=CC=C4
CCCSc1ccc(cc1)c1nn(cc1C=C1SC(=S)N(C1=O)CCS(=O)(=O)O)c1ccccc1
InChI=1SC24H23N3O4S4c1213332010817(91120)2218(1627(2522)196435719)152123(28)26(24(32)3421)121435(2930)31h3111516H21214H21H3(H293031)b2115
MFCD03688860
ZINC000101008705
ZINC101008705

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.