Vitas-M small molecule compound

(3,5-dimethyl-4-thioxo-1,3,5-triazinan-1-yl)acetic acid

Catalog ID
STK988556
SMILES CN1CN(CN(C1=S)C)CC(=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 C7H13N3O2S MW 203.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C7H13N3O2S/c1-8-4-10(3-6(11)12)5-9(2)7(8)13/h3-5H2,1-2H3,(H,11,12)
InChIKey
PDLFTVZIYBEACZ-UHFFFAOYSA-N
Synonyms
187601-58-7
(35dimethyl4thioxo135triazinan1yl)aceticacid
187601587
2(35dimethyl4sulfanylidene135triazinan1ium1yl)acetate
2(35DIMETHYL4THIOXO135TRIAZAPERHYDROINYL)ACETICACID
2(35DIMETHYL4THIOXO135TRIAZINAN1YL)ACE
CN1C(NH+)(CN(C1=S)C)CC(=O)(O)
InChI=1SC7H13N3O2Sc18410(36(11)12)59(2)7(8)13h35H212H3(H1112)
MFCD10567603
ZINC000016839596
ZINC16839596

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Available files

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