Vitas-M small molecule compound

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

Catalog ID
STK037281
SMILES OCC1(CO)SC(=NC1=O)Nc1ccc(cc1)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)13-8-3-1-7(2-4-8)9(17)18/h1-4,15-16H,5-6H2,(H,17,18)(H,13,14,19)
InChIKey
XHMVPBDCSHQQQC-UHFFFAOYSA-N
Synonyms
436088-78-7
4(((2E)4HYDROXY55BIS(HYDROXYMETHYL)13THIAZOL2(5H)YLIDENE)AMINO)BENZOICACID
4((55BIS(HYDROXYMETHYL)4OXO13THIAZOL2YL)AMINO)BENZOICACID
4((55BIS(HYDROXYMETHYL)4OXO13THIAZOLIN2YL)AMINO)BENZOICACID
4((55BIS(HYDROXYMETHYL)4OXO45DIHYDRO13THIAZOL2YL)AMINO)BENZOICACID
4((55bis(hydroxymethyl)4oxo45dihydrothiazol2yl)amino)benzoicacid
4(55BISHYDROXYMETHYL4OXO45DIHYDROTHIAZOL2YLAMINO)BENZOICACID
C1=CC(=CC=C1C(=O)O)NC2=NC(=O)C(S2)(CO)CO
InChI=1SC12H12N2O5Sc15512(616)10(19)1411(2012)138317(248)9(17)18h141516H56H2(H1718)(H131419)
MFCD03110208
OCC1(CO)SC(=NC1=O)Nc1ccc(cc1)C(=O)O
STK037281
ZINC000001850224
ZINC1850224

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Available files

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