Vitas-M small molecule compound

2-{(Z)-[4-oxo-3-(prop-2-en-1-yl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}phenyl benzenesulfonate

Catalog ID
STK049950
SMILES C=CCN1C(=S)S/C(=C\c2ccccc2OS(=O)(=O)c2ccccc2)/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 C19H15NO4S3 MW 417.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H15NO4S3/c1-2-12-20-18(21)17(26-19(20)25)13-14-8-6-7-11-16(14)24-27(22,23)15-9-4-3-5-10-15/h2-11,13H,1,12H2/b17-13-
InChIKey
MKBFMUVEOVTLGU-LGMDPLHJSA-N
Synonyms

(2((Z)(4oxo3prop2enyl2sulfanylidene13thiazolidin5ylidene)methyl)phenyl)benzenesulfonate
2((Z)(4OXO3(PROP2EN1YL)2THIOXO13THIAZOLIDIN5YLIDENE)METHYL)PHENYLBENZENESULFONATE
C=CCN1C(=O)C(=CC2=CC=CC=C2OS(=O)(=O)C3=CC=CC=C3)SC1=S
C=CCN1C(=S)SC(=Cc2ccccc2OS(=O)(=O)c2ccccc2)C1=O
InChI=1SC19H15NO4S3c12122018(21)17(2619(20)25)13148671116(14)2427(2223)1594351015h21113H112H2b1713
MFCD03227453
STK049950
ZINC000009434605
ZINC09434605
ZINC9434605

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Available files

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