Vitas-M small molecule compound

[(5Z)-5-(3-nitrobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetic acid

Catalog ID
STK396529
SMILES OC(=O)CN1C(=S)S/C(=C\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 C12H8N2O5S2 MW 324.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H8N2O5S2/c15-10(16)6-13-11(17)9(21-12(13)20)5-7-2-1-3-8(4-7)14(18)19/h1-5H,6H2,(H,15,16)/b9-5-
InChIKey
AJOCFOTYYPUXLO-UITAMQMPSA-N
Synonyms
103503-34-0
((5Z)5(3nitrobenzylidene)4oxo2thioxo13thiazolidin3yl)aceticacid
(5(3NITROBENZYLIDENE)4OXO2THIOXOTHIAZOLIDIN3YL)ACETICACID
(Z)2(5(3nitrobenzylidene)4oxo2thioxothiazolidin3yl)aceticacid
103503340
2((5Z)5((3NITROPHENYL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)ACETICACID
5(3NITROBENZYLIDENE)2THIOXO4OXOTHIAZOLIDINE3ACETICACID
C1=CC(=CC(=C1)(N+)(=O)(O))C=C2C(=O)N(C(=S)S2)CC(=O)O
InChI=1SC12H8N2O5S2c1510(16)61311(17)9(2112(13)20)572138(47)14(18)19h15H6H2(H1516)b95
MFCD00142994
OC(=O)CN1C(=S)SC(=Cc2cccc(c2)(N+)(=O)(O))C1=O
ZINC000002309144
ZINC2309144

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Available files

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