Vitas-M small molecule compound
{[5-(3-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-2-ium-3-yl]sulfanyl}acetate
Catalog ID
STL051017
SMILES CCn1c(SCC(=O)[O-])[nH+]nc1c1cccc(c1)Cl
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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 C12H12ClN3O2S MW 297.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H12ClN3O2S/c1-2-16-11(8-4-3-5-9(13)6-8)14-15-12(16)19-7-10(17)18/h3-6H,2,7H2,1H3,(H,17,18)InChIKey
AGKXADRTUZIXQI-UHFFFAOYSA-NSynonyms
861120-21-0((5(3CHLOROPHENYL)4ETHYL1H124TRIAZOL4IUM3YL)SULFANYL)ACETATE
((5(3chlorophenyl)4ethyl4H124triazol2ium3yl)sulfanyl)acetate
2((5(3CHLOROPHENYL)4ETHYL124TRIAZOL3YL)SULFANYL)ACETICACID
2((5(3CHLOROPHENYL)4ETHYL1H124TRIAZOL4IUM3YL)SULFANYL)ACETATE
861120210
CC(N+)1=C(NN=C1SCC(=O)(O))C2=CC(=CC=C2)Cl
CCn1c(SCC(=O)(O))(nH+)nc1c1cccc(c1)Cl
InChI=1SC12H12ClN3O2Sc121611(84359(13)68)141512(16)19710(17)18h36H27H21H3(H1718)
MFCD01806225
ZINC000195809942
ZINC195809942
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