Vitas-M small molecule compound

(5E)-5-(4-methoxy-3-nitrobenzylidene)-3-(prop-2-en-1-yl)-2-thioxo-1,3-thiazolidin-4-one

Catalog ID
STL427797
SMILES C=CCN1C(=S)S/C(=C/c2ccc(c(c2)[N+](=O)[O-])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 C14H12N2O4S2 MW 336.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H12N2O4S2/c1-3-6-15-13(17)12(22-14(15)21)8-9-4-5-11(20-2)10(7-9)16(18)19/h3-5,7-8H,1,6H2,2H3/b12-8+
InChIKey
LPHMTQBHAJNMCN-XYOKQWHBSA-N
Synonyms

(5E)5((4METHOXY3NITROPHENYL)METHYLIDENE)3PROP2ENYL2SULFANYLIDENE13THIAZOLIDIN4ONE
(5E)5(4methoxy3nitrobenzylidene)3(prop2en1yl)2thioxo13thiazolidin4one
3ALLYL5(4METHOXY3NITROBENZYLIDENE)2THIOXOTHIAZOLIDIN4ONE
5((4METHOXY3NITROPHENYL)METHYLENE)3PROP2ENYL2THIOXO13THIAZOLIDIN4ONE
C=CCN1C(=S)SC(=Cc2ccc(c(c2)(N+)(=O)(O))OC)C1=O
COC1=C(C=C(C=C1)C=C2C(=O)N(C(=S)S2)CC=C)(N+)(=O)(O)
InChI=1SC14H12N2O4S2c1361513(17)12(2214(15)21)894511(202)10(79)16(18)19h3578H16H22H3b128+
MFCD01077802
ZINC000004713639
ZINC04713639
ZINC4713639

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Available files

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