Vitas-M small molecule compound

methyl 4-{(Z)-[4-oxo-3-(tetrahydrofuran-2-ylmethyl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}benzoate

Catalog ID
STK862607
SMILES COC(=O)c1ccc(cc1)/C=C/1\SC(=S)N(C1=O)CC1CCCO1

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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 C17H17NO4S2 MW 363.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17NO4S2/c1-21-16(20)12-6-4-11(5-7-12)9-14-15(19)18(17(23)24-14)10-13-3-2-8-22-13/h4-7,9,13H,2-3,8,10H2,1H3/b14-9-
InChIKey
OYLWTWFYWDWYPK-ZROIWOOFSA-N
Synonyms

COC(=O)C1=CC=C(C=C1)C=C2C(=O)N(C(=S)S2)CC3CCCO3
InChI=1SC17H17NO4S2c12116(20)126411(5712)91415(19)18(17(23)2414)10133282213h47913H23810H21H3b149
METHYL4((Z)(4OXO3(OXOLAN2YLMETHYL)2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)METHYL)BENZOATE
methyl4((Z)(4oxo3(tetrahydrofuran2ylmethyl)2thioxo13thiazolidin5ylidene)methyl)benzoate
MFCD03516413
ZINC000014199024
ZINC000014199025

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Available files

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