Vitas-M small molecule compound

4-[(Z)-(3-hexyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl 3-nitrobenzoate

Catalog ID
STK809253
SMILES CCCCCCN1C(=S)S/C(=C\c2ccc(cc2)OC(=O)c2cccc(c2)[N+](=O)[O-])/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 C23H22N2O5S2 MW 470.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N2O5S2/c1-2-3-4-5-13-24-21(26)20(32-23(24)31)14-16-9-11-19(12-10-16)30-22(27)17-7-6-8-18(15-17)25(28)29/h6-12,14-15H,2-5,13H2,1H3/b20-14-
InChIKey
QTEILAZCVMWDKK-ZHZULCJRSA-N
Synonyms

(4((Z)(3HEXYL4OXO2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)METHYL)PHENYL)3NITROBENZOATE
4((Z)(3hexyl4oxo2thioxo13thiazolidin5ylidene)methyl)phenyl3nitrobenzoate
CCCCCCN1C(=O)C(=CC2=CC=C(C=C2)OC(=O)C3=CC(=CC=C3)(N+)(=O)(O))SC1=S
CCCCCCN1C(=S)SC(=Cc2ccc(cc2)OC(=O)c2cccc(c2)(N+)(=O)(O))C1=O
InChI=1SC23H22N2O5S2c12345132421(26)20(3223(24)31)141691119(121016)3022(27)1776818(1517)25(28)29h6121415H2513H21H3b2014
MFCD03461304
ZINC000016790658
ZINC16790658

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Available files

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