Vitas-M small molecule compound

methyl 6-[(5Z)-5-(3,4-dimethoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]hexanoate

Catalog ID
STK969723
SMILES COC(=O)CCCCCN1C(=S)S/C(=C\c2ccc(c(c2)OC)OC)/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 C19H23NO5S2 MW 409.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H23NO5S2/c1-23-14-9-8-13(11-15(14)24-2)12-16-18(22)20(19(26)27-16)10-6-4-5-7-17(21)25-3/h8-9,11-12H,4-7,10H2,1-3H3/b16-12-
InChIKey
KPYINHKALGZPIN-VBKFSLOCSA-N
Synonyms
347365-67-7
(Z)methyl6(5(34dimethoxybenzylidene)4oxo2thioxothiazolidin3yl)hexanoate
347365677
COC(=O)CCCCCN1C(=S)SC(=Cc2ccc(c(c2)OC)OC)C1=O
COC1=C(C=C(C=C1)C=C2C(=O)N(C(=S)S2)CCCCCC(=O)OC)OC
InChI=1SC19H23NO5S2c123149813(1115(14)242)121618(22)20(19(26)2716)10645717(21)253h891112H4710H213H3b1612
METHYL6((5Z)5((34DIMETHOXYPHENYL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)HEXANOATE
methyl6((5Z)5(34dimethoxybenzylidene)4oxo2thioxo13thiazolidin3yl)hexanoate
METHYL6(5((34DIMETHOXYPHENYL)METHYLENE)4OXO2THIOXO13THIAZOLIDIN3YL)HEXANOATE
MFCD02333572
ZINC000001768458
ZINC01768458
ZINC1768458

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Available files

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