Vitas-M small molecule compound

5-{[5-(heptan-3-yl)-1,3,4-thiadiazol-2-yl]amino}-5-oxopentanoic acid

Catalog ID
STK332738
SMILES CCCCC(c1nnc(s1)NC(=O)CCCC(=O)O)CC

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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 C14H23N3O3S MW 313.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H23N3O3S/c1-3-5-7-10(4-2)13-16-17-14(21-13)15-11(18)8-6-9-12(19)20/h10H,3-9H2,1-2H3,(H,19,20)(H,15,17,18)
InChIKey
XNDJYCLCWHAHFX-UHFFFAOYSA-N
Synonyms

4(N(5(ETHYLPENTYL)134THIADIAZOL2YL)CARBAMOYL)BUTANOICACID
5((5(heptan3yl)134thiadiazol2yl)amino)5oxopentanoicacid
5((5HEPTAN3YL134THIADIAZOL2YL)AMINO)5OXOPENTANOICACID
CCCCC(CC)C1=NN=C(S1)NC(=O)CCCC(=O)O
InChI=1SC14H23N3O3Sc135710(42)13161714(2113)1511(18)86912(19)20h10H39H212H3(H1920)(H151718)
MFCD02612308
ZINC000002783250
ZINC000002783251

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Available files

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