Vitas-M small molecule compound
3-{[(5E)-4-oxo-5-(thiophen-2-ylmethylidene)-4,5-dihydro-1,3-thiazol-2-yl]amino}benzoic acid
Catalog ID
STL036116
SMILES O=C1N=C(S/C/1=C/c1cccs1)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 C15H10N2O3S2 MW 330.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H10N2O3S2/c18-13-12(8-11-5-2-6-21-11)22-15(17-13)16-10-4-1-3-9(7-10)14(19)20/h1-8H,(H,19,20)(H,16,17,18)/b12-8+InChIKey
LLCBZGIQNIYTSJ-XYOKQWHBSA-NSynonyms
3(((5E)4oxo5(thiophen2ylmethylidene)13thiazol2yl)amino)benzoicacid
3(((5E)4oxo5(thiophen2ylmethylidene)45dihydro13thiazol2yl)amino)benzoicacid
C1=CC(=CC(=C1)NC2=NC(=O)C(=CC3=CC=CS3)S2)C(=O)O
InChI=1SC15H10N2O3S2c181312(8115262111)2215(1713)16104139(710)14(19)20h18H(H1920)(H161718)b128+
MFCD03699907
O=C1N=C(SC1=Cc1cccs1)Nc1cccc(c1)C(=O)O
ZINC000028296975
ZINC28296975
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