Vitas-M small molecule compound

2-[(5Z)-5-(1H-indol-3-ylmethylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanoic acid

Catalog ID
STK547574
SMILES CCC(N1C(=S)S/C(=C\c2c[nH]c3c2cccc3)/C1=O)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 C16H14N2O3S2 MW 346.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H14N2O3S2/c1-2-12(15(20)21)18-14(19)13(23-16(18)22)7-9-8-17-11-6-4-3-5-10(9)11/h3-8,12,17H,2H2,1H3,(H,20,21)/b13-7-
InChIKey
AWYAJFOUCXQWFN-QPEQYQDCSA-N
Synonyms
612802-58-1
(Z)2(5((1Hindol3yl)methylene)4oxo2thioxothiazolidin3yl)butanoicacid
2((5Z)5(1HINDOL3YLMETHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)BUTANOICACID
2((5Z)5(1Hindol3ylmethylidene)4oxo2thioxo13thiazolidin3yl)butanoicacid
2(5(INDOL3YLMETHYLENE)4OXO2THIOXO13THIAZOLIDIN3YL)BUTANOICACID
612802581
CCC(C(=O)O)N1C(=O)C(=CC2=CNC3=CC=CC=C32)SC1=S
CCC(N1C(=S)SC(=Cc2c(nH)c3c2cccc3)C1=O)C(=O)O
InChI=1SC16H14N2O3S2c1212(15(20)21)1814(19)13(2316(18)22)7981711643510(9)11h381217H2H21H3(H2021)b137
MFCD03664587
ZINC000001282608
ZINC000001282610

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Available files

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