Vitas-M small molecule compound
{[4-(prop-2-en-1-yl)-5-(pyridin-2-yl)-4H-1,2,4-triazol-2-ium-3-yl]sulfanyl}acetate
Catalog ID
STL053652
SMILES C=CCn1c(SCC(=O)[O-])[nH+]nc1c1ccccn1
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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 C12H12N4O2S MW 276.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H12N4O2S/c1-2-7-16-11(9-5-3-4-6-13-9)14-15-12(16)19-8-10(17)18/h2-6H,1,7-8H2,(H,17,18)InChIKey
QOYYFWNQWWPRSJ-UHFFFAOYSA-NSynonyms
575470-40-5((4(prop2en1yl)5(pyridin2yl)4H124triazol2ium3yl)sulfanyl)acetate
2((4(PROP2EN1YL)5(PYRIDIN2YL)4H124TRIAZOL3YL)SULFANYL)ACETICACID
2((4PROP2ENYL5PYRIDIN2YL124TRIAZOL3YL)SULFANYL)ACETICACID
2((4PROP2ENYL5PYRIDIN2YL1H124TRIAZOL4IUM3YL)SULFANYL)ACETATE
575470405
C=CCN1C(=NN=C1SCC(=O)O)C2=CC=CC=N2
C=CCn1c(SCC(=O)(O))(nH+)nc1c1ccccn1
InChI=1SC12H12N4O2Sc1271611(95346139)141512(16)19810(17)18h26H178H2(H1718)
MFCD00431119
ZINC195751405
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