Vitas-M small molecule compound

3-{[(2E)-4-hydroxy-5,5-bis(hydroxymethyl)-1,3-thiazol-2(5H)-ylidene]amino}benzoic acid

Catalog ID
STK566614
SMILES OCC1(CO)S/C(=N/c2cccc(c2)C(=O)O)/N=C1O

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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 C12H12N2O5S MW 296.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H12N2O5S/c15-5-12(6-16)10(19)14-11(20-12)13-8-3-1-2-7(4-8)9(17)18/h1-4,15-16H,5-6H2,(H,17,18)(H,13,14,19)
InChIKey
YVNXITBDGKFFOL-UHFFFAOYSA-N
Synonyms
436088-77-6
MFCD04079574
OCC1(CO)SC(=Nc2cccc(c2)C(=O)O)N=C1O
ZINC000001267340

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Available files

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