Vitas-M small molecule compound

3-[(5Z)-4-oxo-5-(quinolin-8-ylmethylidene)-2-thioxo-1,3-thiazolidin-3-yl]benzoic acid

Catalog ID
STK619664
SMILES OC(=O)c1cccc(c1)N1C(=S)S/C(=C\c2cccc3c2nccc3)/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 C20H12N2O3S2 MW 392.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H12N2O3S2/c23-18-16(11-13-5-1-4-12-7-3-9-21-17(12)13)27-20(26)22(18)15-8-2-6-14(10-15)19(24)25/h1-11H,(H,24,25)/b16-11-
InChIKey
POYJRUPVDMYAKX-WJDWOHSUSA-N
Synonyms
929819-38-5
(Z)3(4oxo5(quinolin8ylmethylene)2thioxothiazolidin3yl)benzoicacid
3((5Z)4oxo5(quinolin8ylmethylidene)2sulfanylidene13thiazolidin3yl)benzoicacid
3((5Z)4oxo5(quinolin8ylmethylidene)2thioxo13thiazolidin3yl)benzoicacid
3(4OXO5(8QUINOLYLMETHYLENE)2THIOXO13THIAZOLIDIN3YL)BENZOICACID
929819385
C1=CC2=C(C(=C1)C=C3C(=O)N(C(=S)S3)C4=CC=CC(=C4)C(=O)O)N=CC=C2
InChI=1SC20H12N2O3S2c231816(1113514127392117(12)13)2720(26)22(18)1582614(1015)19(24)25h111H(H2425)b1611
MFCD08751240
OC(=O)c1cccc(c1)N1C(=S)SC(=Cc2cccc3c2nccc3)C1=O
ZINC000013653905
ZINC13653905

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Available files

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