Vitas-M small molecule compound

3-{[5,5-bis(hydroxymethyl)-4-oxo-4,5-dihydro-1,3-thiazol-2-yl]amino}benzoic acid

Catalog ID
STK002872
SMILES OCC1(CO)SC(=NC1=O)Nc1cccc(c1)C(=O)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 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
3(((2E)4HYDROXY55BIS(HYDROXYMETHYL)13THIAZOL2(5H)YLIDENE)AMINO)BENZOICACID
3((55BIS(HYDROXYMETHYL)4OXO13THIAZOL2YL)AMINO)BENZOICACID
3((55BIS(HYDROXYMETHYL)4OXO13THIAZOLIN2YL)AMINO)BENZOICACID
3((55BIS(HYDROXYMETHYL)4OXO45DIHYDRO13THIAZOL2YL)AMINO)BENZOICACID
3((55BIS(HYDROXYMETHYL)4OXO45DIHYDROTHIAZOL2YL)AMINO)BENZOICACID
3(55BISHYDROXYMETHYL4OXO45DIHYDROTHIAZOL
3(55BISHYDROXYMETHYL4OXO45DIHYDROTHIAZOL2YLAMINO)BENZOICACID
436088776
C1=CC(=CC(=C1)NC2=NC(=O)C(S2)(CO)CO)C(=O)O
InChI=1SC12H12N2O5Sc15512(616)10(19)1411(2012)1383127(48)9(17)18h141516H56H2(H1718)(H131419)
MFCD03110207
OCC1(CO)SC(=NC1=O)Nc1cccc(c1)C(=O)O
STK002872
ZINC1267340

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Available files

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