Vitas-M small molecule compound

4-(methylsulfanyl)-2-[(5Z)-4-oxo-2-thioxo-5-(3,4,5-trimethoxybenzylidene)-1,3-thiazolidin-3-yl]butanoic acid

Catalog ID
STK552019
SMILES CSCCC(N1C(=S)S/C(=C\c2cc(OC)c(c(c2)OC)OC)/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 C18H21NO6S3 MW 443.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H21NO6S3/c1-23-12-7-10(8-13(24-2)15(12)25-3)9-14-16(20)19(18(26)28-14)11(17(21)22)5-6-27-4/h7-9,11H,5-6H2,1-4H3,(H,21,22)/b14-9-
InChIKey
TWGMELWOBSUZKQ-ZROIWOOFSA-N
Synonyms
638139-15-8
(Z)4(methylthio)2(4oxo2thioxo5(345trimethoxybenzylidene)thiazolidin3yl)butanoicacid
4(methylsulfanyl)2((5Z)4oxo2thioxo5(345trimethoxybenzylidene)13thiazolidin3yl)butanoicacid
4(METHYLSULFANYL)2(4OXO2THIOXO5(345TRIMETHOXYBENZYLIDENE)13THIAZOLIDIN3YL)BUTANOICACID
4METHYLSULFANYL2((5Z)4OXO2SULFANYLIDENE5((345TRIMETHOXYPHENYL)METHYLIDENE)13THIAZOLIDIN3YL)BUTANOICACID
4METHYLTHIO2(4OXO2THIOXO5((345TRIMETHOXYPHENYL)METHYLENE)(13THIAZOLIDIN3YL))BUTANOICACID
638139158
COC1=CC(=CC(=C1OC)OC)C=C2C(=O)N(C(=S)S2)C(CCSC)C(=O)O
CSCCC(N1C(=S)SC(=Cc2cc(OC)c(c(c2)OC)OC)C1=O)C(=O)O
InChI=1SC18H21NO6S3c12312710(813(242)15(12)253)91416(20)19(18(26)2814)11(17(21)22)56274h7911H56H214H3(H2122)b149
MFCD02267541
ZINC000001889162
ZINC000001889166

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Available files

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