Vitas-M small molecule compound

3-({5-[(E)-(2-carbamoylhydrazinylidene)methyl]-4-chloro-2-oxo-1,3-thiazol-3(2H)-yl}methyl)benzoic acid

Catalog ID
STK739693
SMILES NC(=O)N/N=C/c1sc(=O)n(c1Cl)Cc1cccc(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 C13H11ClN4O4S MW 354.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H11ClN4O4S/c14-10-9(5-16-17-12(15)21)23-13(22)18(10)6-7-2-1-3-8(4-7)11(19)20/h1-5H,6H2,(H,19,20)(H3,15,17,21)/b16-5+
InChIKey
DAYQFLYJPUHGGM-FZSIALSZSA-N
Synonyms
497082-19-6
(E)3((5((2carbamoylhydrazono)methyl)4chloro2oxothiazol3(2H)yl)methyl)benzoicacid
3((5((1E)2(AMINOCARBONYLAMINO)2AZAVINYL)4CHLORO2OXO13THIAZOLIN3YL)METHYL)BENZOICACID
3((5((E)(2carbamoylhydrazinylidene)methyl)4chloro2oxo13thiazol3(2H)yl)methyl)benzoicacid
3((5((E)(CARBAMOYLHYDRAZINYLIDENE)METHYL)4CHLORO2OXO13THIAZOL3YL)METHYL)BENZOICACID
3((5(2(AMINOCARBONYL)CARBOHYDRAZONOYL)4CHLORO2OXO13THIAZOL3(2H)YL)METHYL)BENZOICACID
497082196
C1=CC(=CC(=C1)CN2C(=C(SC2=O)C=NNC(=O)N)Cl)C(=O)O
InChI=1SC13H11ClN4O4Sc14109(5161712(15)21)2313(22)18(10)672138(47)11(19)20h15H6H2(H1920)(H3151721)b165+
MFCD03131901
NC(=O)NN=Cc1sc(=O)n(c1Cl)Cc1cccc(c1)C(=O)O
ZINC000002349152
ZINC33362138

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Available files

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