Vitas-M small molecule compound
3-[(5E)-5-{[2-(benzyloxy)naphthalen-1-yl]methylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]benzoic acid
Catalog ID
STK114160
SMILES S=C1S/C(=C/c2c(OCc3ccccc3)ccc3c2cccc3)/C(=O)N1c1cccc(c1)C(=O)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 C28H19NO4S2 MW 497.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H19NO4S2/c30-26-25(35-28(34)29(26)21-11-6-10-20(15-21)27(31)32)16-23-22-12-5-4-9-19(22)13-14-24(23)33-17-18-7-2-1-3-8-18/h1-16H,17H2,(H,31,32)/b25-16+InChIKey
XWEUGMTULYFGHT-PCLIKHOPSA-NSynonyms
3((5E)4oxo5((2phenylmethoxynaphthalen1yl)methylidene)2sulfanylidene13thiazolidin3yl)benzoicacid
3((5E)5((2(BENZYLOXY)NAPHTHALEN1YL)METHYLIDENE)4OXO2THIOXO13THIAZOLIDIN3YL)BENZOICACID
C1=CC=C(C=C1)COC2=C(C3=CC=CC=C3C=C2)C=C4C(=O)N(C(=S)S4)C5=CC=CC(=C5)C(=O)O
InChI=1SC28H19NO4S2c302625(3528(34)29(26)211161020(1521)27(31)32)1623221254919(22)131424(23)3317187213818h116H17H2(H3132)b2516+
MFCD04127241
S=C1SC(=Cc2c(OCc3ccccc3)ccc3c2cccc3)C(=O)N1c1cccc(c1)C(=O)O
ZINC000009305611
ZINC9305611
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