Vitas-M small molecule compound

3-[(5Z)-5-(3-nitrobenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]propanoic acid

Catalog ID
STK545986
SMILES OC(=O)CCN1C(=O)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 C13H10N2O6S MW 322.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H10N2O6S/c16-11(17)4-5-14-12(18)10(22-13(14)19)7-8-2-1-3-9(6-8)15(20)21/h1-3,6-7H,4-5H2,(H,16,17)/b10-7-
InChIKey
WKKUYXSYAFTMON-YFHOEESVSA-N
Synonyms
488745-91-1
(Z)3(5(3nitrobenzylidene)24dioxothiazolidin3yl)propanoicacid
3((5Z)5((3NITROPHENYL)METHYLIDENE)24DIOXO13THIAZOLIDIN3YL)PROPANOICACID
3((5Z)5(3nitrobenzylidene)24dioxo13thiazolidin3yl)propanoicacid
3(5((3NITROPHENYL)METHYLENE)24DIOXO13THIAZOLIDIN3YL)PROPANOICACID
488745911
C1=CC(=CC(=C1)(N+)(=O)(O))C=C2C(=O)N(C(=O)S2)CCC(=O)O
InChI=1SC13H10N2O6Sc1611(17)451412(18)10(2213(14)19)782139(68)15(20)21h1367H45H2(H1617)b107
MFCD03131937
OC(=O)CCN1C(=O)SC(=Cc2cccc(c2)(N+)(=O)(O))C1=O
ZINC000002340385
ZINC2340385

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Available files

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