Vitas-M small molecule compound

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

Catalog ID
STK988560
SMILES OC(=O)CCN1CNC(=S)NC1

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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 C6H11N3O2S MW 189.24 g/mol Purity >90% as per NMR
InChI
InChI=1S/C6H11N3O2S/c10-5(11)1-2-9-3-7-6(12)8-4-9/h1-4H2,(H,10,11)(H2,7,8,12)
InChIKey
OHELLDVEWGGEHW-UHFFFAOYSA-N
Synonyms
84982-67-2
3(4sulfanylidene135triazinan1ium1yl)propanoate
3(4SULFANYLIDENE135TRIAZINAN1YL)PROPANOICACID
3(4THIOXO(135)TRIAZINAN1YL)PROPIONICACID
3(4THIOXO135TRIAZAPERHYDROINYL)PROPANOICACID
3(4thioxo135triazinan1yl)propanoicacid
84982672
C1NC(=S)NC(NH+)1CCC(=O)(O)
InChI=1SC6H11N3O2Sc105(11)129376(12)849h14H2(H1011)(H27812)
MFCD04035018
ZINC000002522938
ZINC02522938
ZINC2522938

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Available files

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