Vitas-M small molecule compound
{[4-(4-ethoxyphenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-2-ium-3-yl]sulfanyl}acetate
Catalog ID
STK570612
SMILES CCOc1ccc(cc1)n1c(SCC(=O)[O-])[nH+]nc1c1ccc(cc1)OC
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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 C19H19N3O4S MW 385.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H19N3O4S/c1-3-26-16-10-6-14(7-11-16)22-18(13-4-8-15(25-2)9-5-13)20-21-19(22)27-12-17(23)24/h4-11H,3,12H2,1-2H3,(H,23,24)InChIKey
QBBVWMQISYUMNU-UHFFFAOYSA-NSynonyms
849028-90-6((4(4ethoxyphenyl)5(4methoxyphenyl)4H124triazol2ium3yl)sulfanyl)acetate
2((4(4ETHOXYPHENYL)5(4METHOXYPHENYL)124TRIAZOL3YL)SULFANYL)ACETICACID
2((4(4ETHOXYPHENYL)5(4METHOXYPHENYL)1H124TRIAZOL4IUM3YL)SULFANYL)ACETATE
2((4(4ETHOXYPHENYL)5(4METHOXYPHENYL)4H124TRIAZOL3YL)SULFANYL)ACETICACID
2(4(4ETHOXYPHENYL)5(4METHOXYPHENYL)124TRIAZOL3YLTHIO)ACETICACID
849028906
CCOC1=CC=C(C=C1)(N+)2=C(NN=C2SCC(=O)(O))C3=CC=C(C=C3)OC
CCOc1ccc(cc1)n1c(SCC(=O)(O))(nH+)nc1c1ccc(cc1)OC
InChI=1SC19H19N3O4Sc13261610614(71116)2218(134815(252)9513)202119(22)271217(23)24h411H312H212H3(H2324)
MFCD05681691
ZINC000195803386
ZINC195803386
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