Vitas-M small molecule compound
{[4-(4-methoxyphenyl)-5-(3-methylphenyl)-4H-1,2,4-triazol-2-ium-3-yl]sulfanyl}acetate
Catalog ID
STK567390
SMILES COc1ccc(cc1)n1c(SCC(=O)[O-])[nH+]nc1c1cccc(c1)C
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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 C18H17N3O3S MW 355.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17N3O3S/c1-12-4-3-5-13(10-12)17-19-20-18(25-11-16(22)23)21(17)14-6-8-15(24-2)9-7-14/h3-10H,11H2,1-2H3,(H,22,23)InChIKey
XDBDWKVKLHRDKD-UHFFFAOYSA-NSynonyms
483289-12-9((4(4methoxyphenyl)5(3methylphenyl)4H124triazol2ium3yl)sulfanyl)acetate
2((4(4METHOXYPHENYL)5(3METHYLPHENYL)124TRIAZOL3YL)SULFANYL)ACETICACID
2((4(4METHOXYPHENYL)5(3METHYLPHENYL)1H124TRIAZOL4IUM3YL)SULFANYL)ACETATE
2((4(4METHOXYPHENYL)5(3METHYLPHENYL)4H124TRIAZOL3YL)SULFANYL)ACETICACID
2(4(4METHOXYPHENYL)5(3METHYLPHENYL)124TRIAZOL3YLTHIO)ACETICACID
483289129
CC1=CC=CC(=C1)C2=(N+)(C(=NN2)SCC(=O)(O))C3=CC=C(C=C3)OC
COc1ccc(cc1)n1c(SCC(=O)(O))(nH+)nc1c1cccc(c1)C
InChI=1SC18H17N3O3Sc11243513(1012)17192018(251116(22)23)21(17)146815(242)9714h310H11H212H3(H2223)
MFCD02591695
ZINC000001267639
ZINC1267639
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