Vitas-M small molecule compound

{4-[(E)-(3-benzyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-ethoxyphenoxy}acetonitrile

Catalog ID
STK112502
SMILES CCOc1cc(ccc1OCC#N)/C=C\1/SC(=S)N(C1=O)Cc1ccccc1

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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 C21H18N2O3S2 MW 410.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N2O3S2/c1-2-25-18-12-16(8-9-17(18)26-11-10-22)13-19-20(24)23(21(27)28-19)14-15-6-4-3-5-7-15/h3-9,12-13H,2,11,14H2,1H3/b19-13+
InChIKey
WDPGXTAALCHHAC-CPNJWEJPSA-N
Synonyms

(4((E)(3BENZYL4OXO2THIOXO13THIAZOLIDIN5YLIDENE)METHYL)2ETHOXYPHENOXY)ACETONITRILE
2(4((E)(3BENZYL4OXO2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)METHYL)2ETHOXYPHENOXY)ACETONITRILE
CCOC1=C(C=CC(=C1)C=C2C(=O)N(C(=S)S2)CC3=CC=CC=C3)OCC#N
CCOc1cc(ccc1OCC#N)C=C1SC(=S)N(C1=O)Cc1ccccc1
InChI=1SC21H18N2O3S2c1225181216(8917(18)26111022)131920(24)23(21(27)2819)14156435715h391213H21114H21H3b1913+
MFCD05149745
ZINC000004689739
ZINC04689739
ZINC4689739

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Available files

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