Vitas-M small molecule compound

methyl 2-[(5E)-5-(4-hydroxy-3-nitrobenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]propanoate

Catalog ID
STK155313
SMILES COC(=O)C(N1C(=O)S/C(=C/c2ccc(c(c2)[N+](=O)[O-])O)/C1=O)C

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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 C14H12N2O7S MW 352.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H12N2O7S/c1-7(13(19)23-2)15-12(18)11(24-14(15)20)6-8-3-4-10(17)9(5-8)16(21)22/h3-7,17H,1-2H3/b11-6+
InChIKey
GFJWIPGRJIVHFX-IZZDOVSWSA-N
Synonyms

CC(C(=O)OC)N1C(=O)C(=CC2=CC(=C(C=C2)O)(N+)(=O)(O))SC1=O
COC(=O)C(N1C(=O)SC(=Cc2ccc(c(c2)(N+)(=O)(O))O)C1=O)C
InChI=1SC14H12N2O7Sc17(13(19)232)1512(18)11(2414(15)20)683410(17)9(58)16(21)22h3717H12H3b116+
METHYL2((5E)5((4HYDROXY3NITROPHENYL)METHYLIDENE)24DIOXO13THIAZOLIDIN3YL)PROPANOATE
METHYL2((5E)5(4HYDROXY3NITROBENZYLIDENE)24DIOXO13THIAZOLIDIN3YL)PROPANOATE
MFCD03923097
ZINC000036180246
ZINC000036180249

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Available files

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