Vitas-M small molecule compound

2-{(5Z)-5-[1-(carboxymethyl)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}propanoic acid

Catalog ID
STK525595
SMILES OC(=O)CN1C(=O)/C(=C/2\SC(=S)N(C2=O)C(C(=O)O)C)/c2c1cccc2

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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 C16H12N2O6S2 MW 392.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H12N2O6S2/c1-7(15(23)24)18-14(22)12(26-16(18)25)11-8-4-2-3-5-9(8)17(13(11)21)6-10(19)20/h2-5,7H,6H2,1H3,(H,19,20)(H,23,24)/b12-11-
InChIKey
LNJBLDKBMPLHDE-QXMHVHEDSA-N
Synonyms
372507-43-2
(Z)2(5(1(carboxymethyl)2oxoindolin3ylidene)4oxo2thioxothiazolidin3yl)propanoicacid
2((5Z)5(1(carboxymethyl)2oxo12dihydro3Hindol3ylidene)4oxo2thioxo13thiazolidin3yl)propanoicacid
2((5Z)5(1(CARBOXYMETHYL)2OXOINDOL3YLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)PROPANOICACID
2(5(1(CARBOXYMETHYL)2OXOBENZO(D)AZOLIN3YLIDENE)4OXO2THIOXO13THIAZOLIDIN3YL)PROPANOICACID
372507432
CC(C(=O)O)N1C(=O)C(=C2C3=CC=CC=C3N(C2=O)CC(=O)O)SC1=S
InChI=1SC16H12N2O6S2c17(15(23)24)1814(22)12(2616(18)25)11842359(8)17(13(11)21)610(19)20h257H6H21H3(H1920)(H2324)b1211
MFCD01827166
OC(=O)CN1C(=O)C(=C2SC(=S)N(C2=O)C(C(=O)O)C)c2c1cccc2
ZINC000002278378
ZINC000002278380

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Available files

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